A0A5K4F2B8_SCHMA Loading...

Clathrin_bdg domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2B8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 551 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.7Very low29.6Very low245 Ų245157.8 Ų157.8100%1.20785%0.846SS**  088.50-74.8169.9102.800106.5
2E31.6Very low29.2Very low198 Ų198150.4 Ų150.493%0.92584%0.835SS**  trans-93.2126.9178.4-85.7178.5141.800109.5S4E2-S4 PolarHBondContact O-N 3.39Å
3T34.6Very low28.9Very low134 Ų134149.1 Ų149.182%0.82283%0.825SS**  trans-69.7114-177.947.90000110.4K5T3-K5 PolarHBondContact O-N 2.93Å
4S32.5Very low28.7Very low119 Ų119149.3 Ų149.383%0.83282%0.817SS**  trans-61.8119.4173.2-170.40000110.1E2 Q6E2-S4 PolarHBondContact O-N 3.39Å; S4-Q6 PolarHBondContact O-N 3.46Å
5K31.6Very low28.7Very low194 Ų194152.7 Ų152.784%0.84382%0.815SS**  trans-67.9114.8175.1-69176.8179.4178.60108.2T3 T7T3-K5 PolarHBondContact O-N 2.93Å; K5-T7 PolarHBondContact O-N 3.36Å; K5-T7 VanDerWaalsContact O-N 3.11Å
6Q30.2Very low28.7Very low197 Ų197153 Ų15392%0.92181%0.807SS**  trans-73.3104.4175.8-143.8150.824.100108.4S4 C8S4-Q6 PolarHBondContact O-N 3.46Å; Q6-C8 PolarHBondContact O-N 3.38Å
7T25.9Very low28.9Very low122 Ų122152 Ų15275%0.74880%0.802SS**  trans-56.5119.9175.7-54.10000109.8K5 I9K5-T7 PolarHBondContact O-N 3.36Å; K5-T7 VanDerWaalsContact O-N 3.11Å; T7-I9 PolarHBondContact O-N 3.33Å
8C25Very low28.8Very low106 Ų106152.1 Ų152.172%0.71680%0.803SS**  trans-65.9112.2168.3-169.10000107.9Q6 V10Q6-C8 PolarHBondContact O-N 3.38Å; C8-V10 PolarHBondContact O-N 2.89Å; C8-V10 VanDerWaalsContact O-N 3.11Å
9I26Very low28.8Very low145 Ų145152.2 Ų152.274%0.74480%0.804SS**  trans-74.997.8168.3-60173.5000105.7T7 L11T7-I9 PolarHBondContact O-N 3.33Å; I9-L11 PolarHBondContact O-N 3.4Å
10V25.8Very low28.8Very low121 Ų121151.2 Ų151.273%0.73380%0.804SS**  trans-69.4106.8164.4178.30000105.8C8 G12C8-V10 PolarHBondContact O-N 2.89Å; C8-V10 VanDerWaalsContact O-N 3.11Å; V10-G12 PolarHBondContact O-N 3.37Å; V10-G12 VanDerWaalsContact O-N 3.11Å
11L29.4Very low28.7Very low155 Ų155150.3 Ų150.381%0.81280%0.8SS**  trans-63.2110.7164.7-75.4162.7000106.2I9 D13I9-L11 PolarHBondContact O-N 3.4Å; L11-D13 PolarHBondContact O-N 3.31Å
12G24.6Very low28.4Very low69 Ų69145.8 Ų145.871%0.71178%0.779SS**  trans-64.6120.8176.800000109.5V10 E14V10-G12 PolarHBondContact O-N 3.37Å; V10-G12 VanDerWaalsContact O-N 3.11Å; G12-E14 VanDerWaalsContact C-N 3.34Å; G12-E14 PolarHBondContact O-N 3.16Å
13D25.9Very low28.2Very low133 Ų133144.4 Ų144.471%0.71177%0.77SS**  trans-65.693.8162.8-72.5-33.5000108.3L11 Y15L11-D13 PolarHBondContact O-N 3.31Å; D13-Y15 HydrophobicContact CB-CD2 3.8Å; D13-Y15 HydrophobicContact CB-CE2 3.61Å; D13-Y15 PolarHBondContact O-N 2.95Å
14E25.8Very low28Very low152 Ų152144.3 Ų144.371%0.7176%0.764SS**  trans-89.186.4162-161.9175.8173.900107.8G12 K16G12-E14 VanDerWaalsContact C-N 3.34Å; G12-E14 PolarHBondContact O-N 3.16Å; E14-K16 HydrophobicContact CG-CG 4.42Å; E14-K16 PolarHBondContact O-N 3.34Å; E14-K16 WeakPolarHBondContact OE1-CE 3.49Å; E14-K16 IonicContact OE1-NZ 3.95Å
15Y28.1Very low27.7Very low201 Ų201143.9 Ų143.979%0.78876%0.761SS**  trans-64.5101.1165.6-76.6-91.7000108.3D13D13-Y15 HydrophobicContact CB-CD2 3.8Å; D13-Y15 HydrophobicContact CB-CE2 3.61Å; D13-Y15 PolarHBondContact O-N 2.95Å
16K30Very low27.5Very low157 Ų157142.7 Ų142.768%0.68375%0.752SS**  trans-94.6110.1160.6-75-76.5178.9-178.60107.8E14E14-K16 HydrophobicContact CG-CG 4.42Å; E14-K16 PolarHBondContact O-N 3.34Å; E14-K16 WeakPolarHBondContact OE1-CE 3.49Å; E14-K16 IonicContact OE1-NZ 3.95Å
17D31.1Very low27.4Very low136 Ų136138 Ų13873%0.72774%0.739SS**  trans24.3113.5152.1-57.4-35.5000118.2N19D17-N19 PolarHBondContact O-N 3.22Å
18D28.2Very low28Very low153 Ų153137.5 Ų137.582%0.81874%0.736SS**SBendtrans32.382136.7-62.7-18.6000117.6
19N28Very low28.3Very low154 Ų154139 Ų13982%0.82474%0.737SS**  trans177.471138.3-94.7-38.7000110.6D17 N21D17-N19 PolarHBondContact O-N 3.22Å; N19-N21 PolarHBondContact O-N 3.4Å
20V29.1Very low28.6Very low132 Ų132141.1 Ų141.180%0.874%0.737SS**  trans-83.976.6160.2-166.90000107.6L22V20-L22 VanDerWaalsContact C-N 3.28Å; V20-L22 HydrophobicContact CG1-CD2 4.23Å; V20-L22 HydrophobicContact CG1-CG 4.03Å; V20-L22 PolarHBondContact O-N 3.39Å
21N26.2Very low29Very low134 Ų134143.9 Ų143.972%0.71774%0.739SS**  trans-69.894.6163.7-148.2-26.1000105.6N19 K23N19-N21 PolarHBondContact O-N 3.4Å; N21-K23 PolarHBondContact O-N 2.89Å
22L27.6Very low29.3Very low149 Ų149142.3 Ų142.378%0.7873%0.732SS**  trans-67.667.4169.9-77.2167.7000108.3V20 L24V20-L22 VanDerWaalsContact C-N 3.28Å; V20-L22 HydrophobicContact CG1-CD2 4.23Å; V20-L22 HydrophobicContact CG1-CG 4.03Å; V20-L22 PolarHBondContact O-N 3.39Å; L22-L24 PolarHBondContact O-N 3.11Å
23K26.6Very low29.5Very low170 Ų170143.8 Ų143.874%0.73973%0.732SS**  trans-71.991.1165.2-148175.8-173-178.50104.5N21 S25N21-K23 PolarHBondContact O-N 2.89Å; K23-S25 PolarHBondContact O-N 3.04Å; K23-S25 PolarHBondContact O-OG 3.46Å
24L29.4Very low29.8Very low131 Ų131144.3 Ų144.369%0.68673%0.733SS**  trans-51.898.7160.5-81.8154.4000106.1L22 Y26L22-L24 PolarHBondContact O-N 3.11Å; L24-Y26 HydrophobicContact CB-CD2 4.21Å; L24-Y26 HydrophobicContact CB-CE2 3.83Å; L24-Y26 WeakPolarHBondContact O-CD2 3.46Å; L24-Y26 PolarHBondContact O-N 3.44Å
25S26.4Very low30Very low110 Ų110145.2 Ų145.277%0.76974%0.737SS**  trans-70.181.5176.8-59.70000107.9K23K23-S25 PolarHBondContact O-N 3.04Å; K23-S25 PolarHBondContact O-OG 3.46Å
26Y27.3Very low30.1Very low169 Ų169143 Ų14366%0.66374%0.739SS**  trans-66132.6157.8-67.2-81.5000107L24 T28L24-Y26 HydrophobicContact CB-CD2 4.21Å; L24-Y26 HydrophobicContact CB-CE2 3.83Å; L24-Y26 WeakPolarHBondContact O-CD2 3.46Å; L24-Y26 PolarHBondContact O-N 3.44Å; Y26-T28 PolarHBondContact O-N 3.46Å; Y26-T28 VanDerWaalsContact O-N 3.11Å
27P29.3Very low30.1Very low100 Ų100140.5 Ų140.565%0.64974%0.741SS**  trans-57122.6168.622.1-29.3000108N29 Y30P27-N29 PolarHBondContact O-N 3.39Å; P27-Y30 PolarHBondContact O-N 2.92Å
28T38.4Very low29.9Very low111 Ų111141.1 Ų141.168%0.68174%0.744SS**G310 helixtrans-55.4-7.9-172.7-40.70000114.3Y26 Y30Y26-T28 PolarHBondContact O-N 3.46Å; Y26-T28 VanDerWaalsContact O-N 3.11Å; T28-Y30 VanDerWaalsContact C-N 3.34Å; T28-Y30 PolarHBondContact O-N 3.21Å
29N31.9Very low29.9Very low138 Ų138141.5 Ų141.574%0.73875%0.746SS**G310 helixtrans-84.41.6179.7-68.7-5.5000114.8P27P27-N29 PolarHBondContact O-N 3.39Å
30Y32Very low29.8Very low189 Ų189138.7 Ų138.774%0.74174%0.738SS**G310 helixtrans-84.7-14.5176.1-131-91.4000114.4P27 T28P27-Y30 PolarHBondContact O-N 2.92Å; T28-Y30 VanDerWaalsContact C-N 3.34Å; T28-Y30 PolarHBondContact O-N 3.21Å
31F34.6Very low29.7Very low178 Ų178140.5 Ų140.578%0.78174%0.737SS**SBendtrans-119.82.4179.8-77.2-75.9000115
32N35.7Very low29.7Very low123 Ų123139.9 Ų139.966%0.65874%0.738SS**THydrogen-bonded Turntrans-98.825178.6-75.8-1.1000114.2
33S28.5Very low29.8Very low100 Ų100139.7 Ų139.770%0.69974%0.738SS**THydrogen-bonded Turntrans-122.923.8173.552.70000113.9
34I31.9Very low30Very low143 Ų143139.7 Ų139.773%0.73374%0.74SS**SBendtrans-104.390.3150.6-58.5174.2000104.4D36I34-D36 PolarHBondContact O-N 3.48Å; I34-D36 VanDerWaalsContact O-N 3.1Å
35E30Very low30Very low172 Ų172140.1 Ų140.180%0.80474%0.743SS**  trans-55.2115.2166-74.3176.2160.200107.7S37E35-S37 VanDerWaalsContact C-N 3.27Å; E35-S37 PolarHBondContact O-N 2.94Å
36D29.8Very low30Very low154 Ų154139 Ų13982%0.82475%0.75SS**  trans-55.793.2163.6-72.8-47.5000108.4I34 D38I34-D36 PolarHBondContact O-N 3.48Å; I34-D36 VanDerWaalsContact O-N 3.1Å; D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-D38 VanDerWaalsContact O-N 3.1Å
37S29.4Very low30Very low105 Ų105137 Ų13773%0.73475%0.749SS**  trans-74.989.9158.2-71.30000107.8E35 L39E35-S37 VanDerWaalsContact C-N 3.27Å; E35-S37 PolarHBondContact O-N 2.94Å; S37-L39 PolarHBondContact O-N 2.84Å
38D26.6Very low30Very low149 Ų149137.9 Ų137.980%0.79776%0.757SS**  trans27.779.8148.6-69.8-36.5000116.6D36D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-D38 VanDerWaalsContact O-N 3.1Å
39L29.3Very low29.7Very low161 Ų161138 Ų13884%0.84375%0.754SS**  trans-123.481.9150-99.9140.5000108.5S37 H41S37-L39 PolarHBondContact O-N 2.84Å; L39-H41 PolarHBondContact O-N 3.06Å; L39-H41 VanDerWaalsContact O-N 3.1Å
40S24.9Very low29.5Very low94 Ų94134.7 Ų134.766%0.65775%0.752SS**  trans-6894.1173.748.70000111.3
41H28.2Very low29.6Very low171 Ų171135.7 Ų135.779%0.79276%0.756SS**  trans-127.480.7147.2-71.3-49.6000109.1L39 N43L39-H41 PolarHBondContact O-N 3.06Å; L39-H41 VanDerWaalsContact O-N 3.1Å; H41-N43 PolarHBondContact O-N 3.15Å
42V27Very low29.4Very low120 Ų120131.2 Ų131.273%0.72775%0.752SS**  trans-57.1101.5155.8177.60000107.4E44V42-E44 HydrophobicContact CG1-CB 4.35Å; V42-E44 HydrophobicContact CG1-CG 3.72Å
43N29.1Very low29.3Very low145 Ų145132.7 Ų132.778%0.77576%0.755SS**  trans-102.787.5145.361.4-9.6000107.5H41 N45H41-N43 PolarHBondContact O-N 3.15Å; N43-N45 VanDerWaalsContact C-N 3.26Å; N43-N45 PolarHBondContact O-N 2.68Å
44E29.7Very low29.2Very low170 Ų170135.9 Ų135.979%0.79476%0.763SS**  trans-52.698.6153.3-79.3-179.5169.900108V42V42-E44 HydrophobicContact CG1-CB 4.35Å; V42-E44 HydrophobicContact CG1-CG 3.72Å
45N30Very low29.1Very low140 Ų140138.4 Ų138.475%0.74977%0.765SS**  trans-157.488.7149.4-97.83.9000105.6N43 I47N43-N45 VanDerWaalsContact C-N 3.26Å; N43-N45 PolarHBondContact O-N 2.68Å; N45-I47 PolarHBondContact O-N 3.48Å
46G25.7Very low28.9Very low88 Ų88135.4 Ų135.491%0.90776%0.763SS**  trans-58.6102.8171.900000110.2
47I28.9Very low28.8Very low126 Ų126134.1 Ų134.165%0.64676%0.762SS**  trans-129.9108.2160.1-42.3175.4000105.7N45 D49N45-I47 PolarHBondContact O-N 3.48Å; I47-D49 VanDerWaalsContact C-N 3.31Å; I47-D49 PolarHBondContact O-N 3.44Å
48S29.6Very low29.1Very low118 Ų118134.6 Ų134.683%0.82576%0.761SS**  trans-66.389169.3149.70000108.2G50S48-G50 PolarHBondContact O-N 3.01Å; S48-G50 VanDerWaalsContact O-N 3.12Å
49D31.9Very low29.1Very low114 Ų114130.6 Ų130.661%0.6176%0.755SS**  trans-84.185.4171.3-80.1-10.6000109.6I47 Y51I47-D49 VanDerWaalsContact C-N 3.31Å; I47-D49 PolarHBondContact O-N 3.44Å; D49-Y51 HydrophobicContact CB-CD2 4.4Å; D49-Y51 HydrophobicContact CB-CE2 4.05Å; D49-Y51 PolarHBondContact O-N 3.15Å; D49-Y51 VanDerWaalsContact O-N 3.12Å
50G26.8Very low29.1Very low68 Ų68128.4 Ų128.470%0.70175%0.753SS**  trans-63103.3162.700000110.1S48 A52S48-G50 PolarHBondContact O-N 3.01Å; S48-G50 VanDerWaalsContact O-N 3.12Å; G50-A52 VanDerWaalsContact C-N 3.32Å; G50-A52 PolarHBondContact O-N 2.93Å
51Y35.3Very low29.5Very low210 Ų210132.9 Ų132.982%0.82477%0.766SS**  trans-83.385.8160-76.9-88.5000108.2D49 E53D49-Y51 HydrophobicContact CB-CD2 4.4Å; D49-Y51 HydrophobicContact CB-CE2 4.05Å; D49-Y51 PolarHBondContact O-N 3.15Å; D49-Y51 VanDerWaalsContact O-N 3.12Å; Y51-E53 PolarHBondContact O-N 3.21Å
52A29Very low29.6Very low85 Ų85130.1 Ų130.170%0.70277%0.766SS**  trans-62.8124.3163.900000109G50 I54G50-A52 VanDerWaalsContact C-N 3.32Å; G50-A52 PolarHBondContact O-N 2.93Å; A52-I54 PolarHBondContact O-N 3.45Å
53E33.3Very low30Very low154 Ų154129.3 Ų129.372%0.7277%0.766SS**  trans-55.1110.7171.2-70176.8166.400110Y51 Y55Y51-E53 PolarHBondContact O-N 3.21Å; E53-Y55 HydrophobicContact CB-CE2 4.38Å; E53-Y55 PolarHBondContact O-N 3.36Å
54I26.6Very low30.3Very low166 Ų166127.9 Ų127.985%0.85177%0.767SS**  trans-74.794.5172.48.5174.3000108A52 S56A52-I54 PolarHBondContact O-N 3.45Å; I54-S56 PolarHBondContact O-N 3.15Å; I54-S56 VanDerWaalsContact O-N 3.14Å
55Y30.5Very low30.2Very low197 Ų197128.7 Ų128.777%0.77377%0.771SS**  trans-59.9112.6167.6-77.4-91.2000109.3E53E53-Y55 HydrophobicContact CB-CE2 4.38Å; E53-Y55 PolarHBondContact O-N 3.36Å
56S25.3Very low30.4Very low109 Ų109127.6 Ų127.676%0.76277%0.774SS**  trans-65.6128.9172.1-68.10000109.7I54 T58I54-S56 PolarHBondContact O-N 3.15Å; I54-S56 VanDerWaalsContact O-N 3.14Å; S56-T58 PolarHBondContact O-N 3.35Å
57P28Very low30.8Very low126 Ų126129.1 Ų129.182%0.81877%0.766SS**  trans-62.6130.4-177.9-20.130.8000111.7G59P57-G59 PolarHBondContact O-N 3.39Å
58T35.8Very low30.8Very low116 Ų116132.1 Ų132.171%0.71278%0.777SS**  trans-54.2103.9176.849.10000111.3S56S56-T58 PolarHBondContact O-N 3.35Å
59G27.2Very low31.4Very low65 Ų65132.3 Ų132.367%0.6777%0.767SS**  trans-60.5130.6165.900000110.2P57 M61P57-G59 PolarHBondContact O-N 3.39Å; G59-M61 PolarHBondContact O-N 3.26Å
60S27.7Very low31.3Very low114 Ų114132.6 Ų132.680%0.79778%0.775SS**  trans-5794.5-173.4-50.40000113S62S60-S62 PolarHBondContact O-N 3.24Å; S60-S62 VanDerWaalsContact O-N 3.11Å
61M34.9Very low32Very low189 Ų189140.3 Ų140.393%0.93179%0.785SS**  trans-72.3102.1163.1-70.3-96.393.800107.6G59 S63G59-M61 PolarHBondContact O-N 3.26Å; M61-S63 PolarHBondContact O-N 2.95Å
62S30.1Very low32.1Very low113 Ų113137.4 Ų137.479%0.7978%0.784SS**  trans-69.8122.3176-71.70000110.8S60S60-S62 PolarHBondContact O-N 3.24Å; S60-S62 VanDerWaalsContact O-N 3.11Å
63S35.5Very low33Very low103 Ų103139.9 Ų139.972%0.7278%0.783SS**SBendtrans43.3103.2142.6-1680000119.8M61M61-S63 PolarHBondContact O-N 2.95Å
64S34Very low33.2Very low115 Ų115136.7 Ų136.780%0.80478%0.776SS**  57.680.4127.1-48.90000118.7
65E28.9Very low34.2Very low186 Ų186135.5 Ų135.587%0.86977%0.772SS**  trans-103.298.3151.1-164.3143.3-15900107.9V67E65-V67 PolarHBondContact O-N 3.15Å
66S33.1Very low34.7Very low117 Ų117128.6 Ų128.682%0.81875%0.752SS**  trans-75.110217950.70000109.3E68S66-E68 PolarHBondContact O-N 3.09Å
67V35.2Very low35.8Very low121 Ų121130.2 Ų130.273%0.73375%0.748SS**  trans-76.3113.1172.7178.80000108.7E65 I69E65-V67 PolarHBondContact O-N 3.15Å; V67-I69 PolarHBondContact O-N 3.1Å
68E28.8Very low37Very low189 Ų189133 Ų13388%0.88375%0.747SS**PPolyproline II helixtrans-74.2119.2176.6-166.5170.9-16400109.9S66S66-E68 PolarHBondContact O-N 3.09Å
69I41.9Very low37.6Very low122 Ų122132.4 Ų132.463%0.62673%0.732SS**PPolyproline II helixtrans-97.4126.7-177.7-50.9173.6000108.4V67 Y71V67-I69 PolarHBondContact O-N 3.1Å; I69-Y71 PolarHBondContact O-N 2.98Å
70P29.3Very low38.7Very low119 Ų119136.9 Ų136.977%0.77373%0.729SS**PPolyproline II helixtrans-66.3126.9179.522.4-30000112.1D72P70-D72 PolarHBondContact O-N 3.48Å; P70-D72 VanDerWaalsContact O-N 3.15Å
71Y41Very low40.2Very low230 Ų230137.3 Ų137.390%0.90272%0.722SS**  trans-78.981.6173.1-79.2-94.1000110.2I69I69-Y71 PolarHBondContact O-N 2.98Å
72D37.2Very low41.3Very low150 Ų150131.5 Ų131.580%0.80270%0.695SS**  trans-159.996.4153.5-117.9-21000111.3P70P70-D72 PolarHBondContact O-N 3.48Å; P70-D72 VanDerWaalsContact O-N 3.15Å
73I49.5Very low42.7Very low136 Ų136127.9 Ų127.970%0.69768%0.675SS**  trans-86.1117.6161.3-62.3175.1000105.4D75I73-D75 PolarHBondContact O-N 3.25Å
74P36.9Very low43.8Very low88 Ų88125.8 Ų125.857%0.57166%0.664SS**  trans-66.2115.6-178.324.2-31.5000109.6S76P74-S76 PolarHBondContact O-N 3.06Å
75D47.4Very low45Very low141 Ų141127.8 Ų127.875%0.75466%0.655SS**  trans-72.744-176.3-134.114.7000111.8I73I73-D75 PolarHBondContact O-N 3.25Å
76S41.5Very low46.7Very low51 Ų51122.4 Ų122.436%0.35763%0.631SS.*  trans-77.6142.5-178.380.90000110.6P74 K78 Y79P74-S76 PolarHBondContact O-N 3.06Å; S76-K78 PolarHBondContact O-N 2.8Å; S76-Y79 PolarHBondContact O-N 3.26Å; S76-Y79 WeakPolarHBondContact OG-CD2 3.3Å; S76-Y79 WeakPolarHBondContact OG-CE2 3.18Å
77Q48.9Very low48Very low144 Ų144121.9 Ų121.967%0.67362%0.62SS**Hα-helixtrans-49.3-29.7-176.2-166.167.911.700113.8Y79Q77-Y79 PolarHBondContact O-N 3.38Å
78K51.9Low49.3Very low184 Ų184119.7 Ų119.780%0.861%0.61SS**Hα-helixtrans-63.7-21.6177.2-76.2-173.3176.9-176.90114.4S76S76-K78 PolarHBondContact O-N 2.8Å
79Y48.3Very low50.8Low103 Ų103114.2 Ų114.240%0.40459%0.589SS.*Hα-helixtrans-105.7-9.1-176.4-55.3-64.7000114.3S76 Q77 D81 L82 G83S76-Y79 PolarHBondContact O-N 3.26Å; S76-Y79 WeakPolarHBondContact OG-CD2 3.3Å; S76-Y79 WeakPolarHBondContact OG-CE2 3.18Å; Q77-Y79 PolarHBondContact O-N 3.38Å; Y79-D81 PolarHBondContact O-N 3.01Å; Y79-L82 PolarHBondContact O-N 2.91Å; Y79-L82 VanDerWaalsContact O-N 3.14Å; Y79-G83 PolarHBondContact O-N 2.85Å
80R50.5Low51.8Low159 Ų159112.3 Ų112.360%0.658%0.583SS**Hα-helixtrans-56.7-37.9172.4-81.5-168.2178.7-123.8-2.5111.1L82 A84R80-L82 PolarHBondContact O-N 2.75Å; R80-A84 PolarHBondContact O-N 3.37Å
81D60.1Low53.3Low123 Ų123110.2 Ų110.266%0.65857%0.567SS**Hα-helixtrans-69.6-31.2179.8-65.9-17.7000112.8Y79 A84 Y85Y79-D81 PolarHBondContact O-N 3.01Å; D81-A84 PolarHBondContact O-N 2.97Å; D81-Y85 VanDerWaalsContact O-CB 3.25Å; D81-Y85 WeakPolarHBondContact O-CB 3.47Å; D81-Y85 PolarHBondContact O-N 3.44Å
82L57.5Low54.1Low68 Ų68101.4 Ų101.436%0.35654%0.542SS..Hα-helixtrans-72.6-41.1-179.2-174.863.6000111.8Y79 R80 A84 Y85 I86Y79-L82 PolarHBondContact O-N 2.91Å; Y79-L82 VanDerWaalsContact O-N 3.14Å; R80-L82 PolarHBondContact O-N 2.75Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-Y85 PolarHBondContact O-N 3.46Å; L82-I86 HydrophobicContact CD1-CD1 4.31Å; L82-I86 HydrophobicContact CD1-CG1 4.48Å; L82-I86 HydrophobicContact CG-CD1 4.06Å; L82-I86 VanDerWaalsContact O-CG1 3.27Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 2.81Å
83G59.2Low54.7Low36 Ų3697.1 Ų97.137%0.37153%0.527SS..Hα-helixtrans-60.8-43172.900000111.6Y79 N87Y79-G83 PolarHBondContact O-N 2.85Å; G83-N87 PolarHBondContact O-N 3.17Å; G83-N87 VanDerWaalsContact O-N 3.13Å
84A58.2Low54.6Low59 Ų5993 Ų9349%0.48851%0.511SS..Hα-helixtrans-65.5-41.7175.900000112.7R80 D81 L82 N87 S88R80-A84 PolarHBondContact O-N 3.37Å; D81-A84 PolarHBondContact O-N 2.97Å; L82-A84 VanDerWaalsContact C-N 3.31Å; A84-N87 PolarHBondContact O-N 3.14Å; A84-S88 WeakPolarHBondContact O-CB 2.94Å; A84-S88 PolarHBondContact O-N 3.38Å
85Y60.3Low55.2Low157 Ų15795.1 Ų95.162%0.61651%0.511SS*.Hα-helixtrans-62.2-46.7177.9-179.7-100.9000111.8D81 L82 N87 S88 V89D81-Y85 VanDerWaalsContact O-CB 3.25Å; D81-Y85 WeakPolarHBondContact O-CB 3.47Å; D81-Y85 PolarHBondContact O-N 3.44Å; L82-Y85 PolarHBondContact O-N 3.46Å; Y85-N87 VanDerWaalsContact C-N 3.35Å; Y85-N87 PolarHBondContact O-N 3.06Å; Y85-S88 WeakPolarHBondContact O-CB 3.09Å; Y85-S88 PolarHBondContact O-N 3.25Å; Y85-S88 VanDerWaalsContact O-N 3.15Å; Y85-V89 HydrophobicContact CD1-CG2 4.35Å; Y85-V89 HydrophobicContact CE1-CG2 3.94Å; Y85-V89 HydrophobicContact CE2-CG2 4.38Å; Y85-V89 WeakPolarHBondContact O-CG2 3.41Å; Y85-V89 PolarHBondContact O-N 2.76Å
86I64.8Low55.3Low73 Ų7393.5 Ų93.537%0.37450%0.502SS..Hα-helixtrans-61-46177.8-67.5166000110.4L82 S88 V89 V90 R537L82-I86 HydrophobicContact CD1-CD1 4.31Å; L82-I86 HydrophobicContact CD1-CG1 4.48Å; L82-I86 HydrophobicContact CG-CD1 4.06Å; L82-I86 VanDerWaalsContact O-CG1 3.27Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 2.81Å; I86-S88 VanDerWaalsContact C-N 3.29Å; I86-S88 PolarHBondContact O-N 3.01Å; I86-V89 PolarHBondContact O-N 3.31Å; I86-V90 WeakPolarHBondContact O-CG2 3.29Å; I86-V90 PolarHBondContact O-N 3.41Å; I86-R537 VanDerWaalsContact CD1-NH2 3.29Å
87N58.7Low55.5Low107 Ų10798.1 Ų98.157%0.57252%0.518SS*.Hα-helixtrans-62-37.1176.5-79.6-13000112.3G83 A84 Y85 V90 V91G83-N87 PolarHBondContact O-N 3.17Å; G83-N87 VanDerWaalsContact O-N 3.13Å; A84-N87 PolarHBondContact O-N 3.14Å; Y85-N87 VanDerWaalsContact C-N 3.35Å; Y85-N87 PolarHBondContact O-N 3.06Å; N87-V90 PolarHBondContact O-N 2.93Å; N87-V91 WeakPolarHBondContact O-CB 3.49Å; N87-V91 VanDerWaalsContact O-CG2 3.26Å; N87-V91 WeakPolarHBondContact O-CG2 3.34Å; N87-V91 PolarHBondContact O-N 3.07Å
88S64.5Low55.2Low75 Ų7595.3 Ų95.352%0.52451%0.514SS..Hα-helixtrans-62.8-43.6174.9-179.60000112.5A84 Y85 I86 V91 A92A84-S88 WeakPolarHBondContact O-CB 2.94Å; A84-S88 PolarHBondContact O-N 3.38Å; Y85-S88 WeakPolarHBondContact O-CB 3.09Å; Y85-S88 PolarHBondContact O-N 3.25Å; Y85-S88 VanDerWaalsContact O-N 3.15Å; I86-S88 VanDerWaalsContact C-N 3.29Å; I86-S88 PolarHBondContact O-N 3.01Å; S88-V91 PolarHBondContact O-N 3.45Å; S88-A92 WeakPolarHBondContact O-CB 3.31Å; S88-A92 PolarHBondContact O-N 3.06Å
89V60.1Low54.5Low74 Ų7492.2 Ų92.245%0.44851%0.506SS..Hα-helixtrans-64.3-43.2178.6174.20000110.8Y85 I86 A92 A93Y85-V89 HydrophobicContact CD1-CG2 4.35Å; Y85-V89 HydrophobicContact CE1-CG2 3.94Å; Y85-V89 HydrophobicContact CE2-CG2 4.38Å; Y85-V89 WeakPolarHBondContact O-CG2 3.41Å; Y85-V89 PolarHBondContact O-N 2.76Å; I86-V89 PolarHBondContact O-N 3.31Å; V89-A92 PolarHBondContact O-N 3.01Å; V89-A93 WeakPolarHBondContact O-CB 3.33Å; V89-A93 PolarHBondContact O-N 3.42Å
90V61.8Low53.9Low82 Ų8294.3 Ų94.350%0.49752%0.524SS..Hα-helixtrans-63.5-43.4177.6174.20000111.4I86 N87 A93 C94I86-V90 WeakPolarHBondContact O-CG2 3.29Å; I86-V90 PolarHBondContact O-N 3.41Å; N87-V90 PolarHBondContact O-N 2.93Å; V90-A93 PolarHBondContact O-N 3.43Å; V90-C94 PolarHBondContact O-N 2.95Å; V90-C94 PolarHBondContact O-SG 3.33Å
91V61.3Low52.9Low74 Ų7492.1 Ų92.145%0.44853%0.533SS..Hα-helixtrans-65.9-40.7176.9171.70000111.7N87 S88 C94 K95N87-V91 WeakPolarHBondContact O-CB 3.49Å; N87-V91 VanDerWaalsContact O-CG2 3.26Å; N87-V91 WeakPolarHBondContact O-CG2 3.34Å; N87-V91 PolarHBondContact O-N 3.07Å; S88-V91 PolarHBondContact O-N 3.45Å; V91-C94 PolarHBondContact O-N 2.74Å; V91-K95 PolarHBondContact O-N 2.93Å
92A58.4Low51.5Low45 Ų4591.5 Ų91.537%0.37253%0.533SS..Hα-helixtrans-63.9-42.7176.700000111.9S88 V89 C94 K95 N96S88-A92 WeakPolarHBondContact O-CB 3.31Å; S88-A92 PolarHBondContact O-N 3.06Å; V89-A92 PolarHBondContact O-N 3.01Å; A92-C94 VanDerWaalsContact C-N 3.32Å; A92-C94 PolarHBondContact O-N 2.88Å; A92-K95 PolarHBondContact O-N 3.28Å; A92-N96 PolarHBondContact O-N 2.95Å
93A48.9Very low50.1Low60 Ų6096.3 Ų96.350%0.49655%0.554SS.*Hα-helixtrans-60.4-41.8174.800000111.7V89 V90 E97V89-A93 WeakPolarHBondContact O-CB 3.33Å; V89-A93 PolarHBondContact O-N 3.42Å; V90-A93 PolarHBondContact O-N 3.43Å; A93-E97 PolarHBondContact O-N 2.71Å
94C46.7Very low48.7Very low51 Ų51100.5 Ų100.535%0.34558%0.575SS.*Hα-helixtrans-70.7-32.5178.5-67.90000113.3V90 V91 A92V90-C94 PolarHBondContact O-N 2.95Å; V90-C94 PolarHBondContact O-SG 3.33Å; V91-C94 PolarHBondContact O-N 2.74Å; A92-C94 VanDerWaalsContact C-N 3.32Å; A92-C94 PolarHBondContact O-N 2.88Å
95K51.2Low47.2Very low132 Ų132103.8 Ų103.857%0.57459%0.593SS**Hα-helixtrans-71.3-39.2175.2-95.4-176.4175.31800112.5V91 A92 E97 S98 L99V91-K95 PolarHBondContact O-N 2.93Å; A92-K95 PolarHBondContact O-N 3.28Å; K95-E97 PolarHBondContact O-N 3.02Å; K95-S98 PolarHBondContact O-N 3.14Å; K95-S98 PolarHBondContact O-OG 3.1Å; K95-L99 PolarHBondContact O-N 3.47Å
96N48.7Very low45.5Very low106 Ų106101 Ų10157%0.56760%0.597SS**Hα-helixtrans-65.4-28.5178.4-72.6-9.2000112.3A92 S98 L99A92-N96 PolarHBondContact O-N 2.95Å; N96-S98 VanDerWaalsContact C-N 3.31Å; N96-S98 PolarHBondContact O-N 3.42Å; N96-L99 PolarHBondContact O-N 2.85Å
97E44.8Very low43.6Very low148 Ų148106.8 Ų106.869%0.69262%0.622SS**Hα-helixtrans-70.1-28173.9-154.4173.8-161.700112.4A93 K95A93-E97 PolarHBondContact O-N 2.71Å; K95-E97 PolarHBondContact O-N 3.02Å
98S43Very low42.2Very low86 Ų86110 Ų11060%0.60164%0.638SS**Hα-helixtrans-84.1-17.317766.90000115K95 N96K95-S98 PolarHBondContact O-N 3.14Å; K95-S98 PolarHBondContact O-OG 3.1Å; N96-S98 VanDerWaalsContact C-N 3.31Å; N96-S98 PolarHBondContact O-N 3.42Å
99L37.9Very low40.4Very low119 Ų119111.3 Ų111.362%0.62365%0.647SS**SBendtrans-96.51.2178.8-89.1160.7000113.8K95 N96 S101 V102K95-L99 PolarHBondContact O-N 3.47Å; N96-L99 PolarHBondContact O-N 2.85Å; L99-S101 PolarHBondContact O-N 3.44Å; L99-V102 WeakPolarHBondContact O-CG2 3.34Å
100N34.6Very low38.8Very low147 Ų147116.9 Ų116.979%0.78667%0.668SS**  trans-87.429.9167.8-73.4-30.9000113
101S30.1Very low37.1Very low112 Ų112123 Ų12378%0.78369%0.688SS**  trans-103.666.2154.3179.70000108.2L99L99-S101 PolarHBondContact O-N 3.44Å
102V30.7Very low35.5Very low110 Ų110123.2 Ų123.267%0.66771%0.705SS**  trans-102.7108.2171.1169.90000107.9L99L99-V102 WeakPolarHBondContact O-CG2 3.34Å
103E28.4Very low33.9Very low169 Ų169127.9 Ų127.979%0.7973%0.73SS**  trans-41.5149.2155.2-94178.2130.300111.6C105E103-C105 PolarHBondContact O-N 2.93Å
104P30.4Very low32.8Very low125 Ų125128.6 Ų128.681%0.81274%0.735SS**  trans-69.893.4-172.329.8-33.7000111.1S106P104-S106 PolarHBondContact O-N 3.3Å; P104-S106 VanDerWaalsContact O-N 3.11Å
105C25.2Very low31.8Very low127 Ų127136.4 Ų136.486%0.85876%0.759SS**  trans-79.496171.3-130.20000109E103E103-C105 PolarHBondContact O-N 2.93Å
106S24.3Very low30.7Very low100 Ų100137.6 Ų137.670%0.69977%0.77SS**  trans-54154.5161.2-61.10000110.3P104P104-S106 PolarHBondContact O-N 3.3Å; P104-S106 VanDerWaalsContact O-N 3.11Å
107Q26.1Very low29.5Very low194 Ų194137.3 Ų137.391%0.90777%0.772SS**  trans101.363.7171.8-52.5173.410.200116
108L29.9Very low28.6Very low174 Ų174137 Ų13791%0.91178%0.775SS**  trans-84.8109.6146.5-106.5160.9000109
109S26.3Very low27.7Very low102 Ų102140.4 Ų140.471%0.71379%0.786SS**  trans43.197.1145.3-153.40000118.2
110Q25.2Very low27Very low191 Ų191142.9 Ų142.989%0.89379%0.794SS**  trans-53.2136.4139.8-69.9174.6-7.200109.6
111K26.5Very low26.7Very low211 Ų211143.3 Ų143.392%0.91780%0.796SS**  trans132.493.9146.3-157.3173.5-166.5-179.80112.1
112G27.2Very low26.5Very low78 Ų78143 Ų14380%0.80479%0.79SS**  trans164.855.2174.800000113.1
113T25.9Very low26.4Very low144 Ų144146.1 Ų146.188%0.88380%0.797SS**  trans-61.3139.7169.85.50000111.6
114A25.2Very low26.5Very low75 Ų75143.8 Ų143.862%0.6280%0.799SS**  158119.9116.900000115
115Y25.4Very low26.3Very low215 Ų215144.2 Ų144.284%0.84379%0.794SS**  trans66.1122161.3-51.7-74000117.7
116I28.7Very low26.6Very low157 Ų157145.8 Ų145.881%0.80579%0.793SS**  -150.7105.555.5-63.9155.7000108.3
117T23.7Very low26.6Very low99 Ų99148.8 Ų148.861%0.60780%0.796SS**  30.9114102.652.50000120.3
118N26.1Very low26.6Very low142 Ų142146.9 Ų146.976%0.75979%0.789SS**  trans83.9105.2141.8-52.5-16.2000119.8
119L24.9Very low26.7Very low158 Ų158144.6 Ų144.683%0.82778%0.781SS**  -157.3113.199-129.789.4000110.5
120E22.4Very low26.8Very low171 Ų171146.6 Ų146.680%0.79978%0.779SS**  trans-77.1119.3166.4-172.5175.4-160.400107.3
121L28.5Very low27Very low156 Ų156144.9 Ų144.982%0.81778%0.776SS**  trans-124.3112.9157-81.6176.1000108.1
122T26.1Very low27Very low106 Ų106139 Ų13965%0.6577%0.767SS**  trans-61.5138.4179.843.20000113.8
123E27.1Very low27.3Very low175 Ų175141.2 Ų141.282%0.81877%0.767SS**  trans11.3114.4142.4-61.1178.8174.600117.9
124S30.7Very low27.5Very low119 Ų119140.7 Ų140.783%0.83276%0.764SS**  trans-121.495.6141.68.20000108.3
125N27.4Very low27.5Very low134 Ų134143.3 Ų143.372%0.71777%0.768SS**  trans-48.8138.8155.8-78.1-55.3000110.3
126I30.1Very low27.9Very low160 Ų160139.4 Ų139.482%0.82176%0.76SS**  trans171.7125148.2-81.1140.7000103.8
127E25.8Very low27.6Very low164 Ų164138.4 Ų138.477%0.76676%0.756SS**  cis-167.5133.8-1.5173.8170-163.700105.8V129E127-V129 PolarHBondContact O-N 3.48Å
128M25.4Very low28.1Very low154 Ų154141.9 Ų141.976%0.75977%0.765SS**  trans-64.3113172-112.3174.4-12.800109.1H130M128-H130 PolarHBondContact SD-NE2 3.08Å; M128-H130 VanDerWaalsContact SD-NE2 3.39Å
129V31.4Very low28Very low125 Ų125138.8 Ų138.876%0.75876%0.759SS**  trans-98.294.4159.7-177.70000107.6E127E127-V129 PolarHBondContact O-N 3.48Å
130H28.5Very low28.2Very low144 Ų144137.9 Ų137.967%0.66776%0.755SS**  trans-82.8111.6158.9-76-73.7000107.8M128M128-H130 PolarHBondContact SD-NE2 3.08Å; M128-H130 VanDerWaalsContact SD-NE2 3.39Å
131D29.7Very low28.3Very low155 Ų155135.1 Ų135.183%0.82975%0.75SS**  trans-125104151-85.9-38.6000108.5
132A27Very low28.3Very low89 Ų89132.5 Ų132.574%0.73675%0.745SS**  trans-75164.8174.900000110.9
133P34.1Very low28.2Very low123 Ų123134.6 Ų134.680%0.79975%0.752SS**  trans-86.4144.4-155.232.5-32.5000113.9N135P133-N135 PolarHBondContact O-N 3.48Å
134T29.4Very low28.4Very low133 Ų133132.4 Ų132.482%0.81675%0.75SS**  trans-75.4104.2171.5-39.30000109.9I136T134-I136 HydrophobicContact CG2-CD1 4.29Å; T134-I136 HydrophobicContact CG2-CG1 4.24Å
135N25.7Very low28Very low130 Ų130134.5 Ų134.570%0.69575%0.749SS**  trans-76.7120.3165.1-169.2-0.3000108.9P133P133-N135 PolarHBondContact O-N 3.48Å
136I32.5Very low27.7Very low134 Ų134135 Ų13569%0.68775%0.747SS**  trans-136.6100.1161-60.5177.9000107.9T134T134-I136 HydrophobicContact CG2-CD1 4.29Å; T134-I136 HydrophobicContact CG2-CG1 4.24Å
137D23.3Very low27.4Very low135 Ų135133 Ų13372%0.72274%0.737SS**  trans-54.9134.1155.6-91.6-46.4000111.6
138H33.2Very low27.3Very low173 Ų173131.3 Ų131.380%0.80173%0.733SS**  trans-153.5103.4145.8-92.6-64000106.3
139A25.9Very low27.1Very low76 Ų76130.1 Ų130.163%0.62873%0.73SS**  68.2108.580.900000113.3
140D28.1Very low26.7Very low140 Ų140132.7 Ų132.775%0.74973%0.731SS**  trans145.697.8134.4-85.4-29.7000110.8
141T25.3Very low26.7Very low113 Ų113134.1 Ų134.169%0.69374%0.738SS**  72.6127.877.665.90000114.6
142S26.8Very low26.4Very low101 Ų101133.2 Ų133.271%0.70673%0.733SS**  trans71.9144.9155.586.50000115.4
143N24.4Very low26.7Very low150 Ų150137 Ų13780%0.80274%0.739SS**  cis179.4175.2-11.4-107.6-25.4000103
144V31.2Very low26.5Very low128 Ų128136.8 Ų136.878%0.77674%0.737SS**  trans93.293.2159.9-164.60000112.1
145M22Very low26Very low164 Ų164135.9 Ų135.981%0.80874%0.736SS**  49.9135.683.8-88.4-178.3-163.300111.1
146E21.8Very low26Very low145 Ų145135.4 Ų135.468%0.67874%0.743SS**  cis173.2168.38.1-139.2-173.3148.200103.5
147I24Very low26Very low117 Ų117134.7 Ų134.760%0.675%0.747SS**  trans81.2101.9142.8-66.3163.9000119.2
148N22.8Very low25.9Very low129 Ų129135 Ų13569%0.6975%0.748SS**  81.8120.9118.4-68.6-12.5000123.6
149N22.3Very low25.5Very low129 Ų129133 Ų13369%0.6975%0.75SS**  57.6127.8121.7-74-35000121.9
150K22.3Very low25.3Very low178 Ų178137.3 Ų137.377%0.77476%0.758SS**  trans62.5113.7139-69.1-177.4175-175.30117.5
151H29.9Very low25.4Very low175 Ų175140.6 Ų140.681%0.8177%0.765SS**  -171.4149.1108.8-107.9-65.6000113.3
152D23.4Very low25.4Very low136 Ų136143.3 Ų143.373%0.72777%0.77SS**  trans-50.6145175.9-49.3-84.9000115.9
153I31.8Very low25.1Very low169 Ų169143.8 Ų143.887%0.86777%0.773SS**  trans-142.4141.2140.9-60.8-171.8000108.4
154P30Very low25.1Very low117 Ų117141.8 Ų141.876%0.7678%0.777SS**  trans-108.3175.6-145.940.6-33.2000116.1
155S20.1Very low24.7Very low114 Ų114139.3 Ų139.380%0.79778%0.778SS**  trans-45.8143.2170.1-50.90000116.7
156S25.7Very low24.8Very low120 Ų120137.9 Ų137.984%0.83978%0.778SS**  trans-165.1154.1140.8-92.80000112
157P32.5Very low25.1Very low120 Ų120139.4 Ų139.478%0.77979%0.79SS**  -123.8179.3-118.941.2-30.9000116.3
158L19.9Very low24.9Very low142 Ų142143.7 Ų143.774%0.74380%0.799SS**  trans-35.4147.6171-89.183.6000116.2Q160L158-Q160 PolarHBondContact O-N 3.15Å
159P25.6Very low25.2Very low130 Ų130143.1 Ų143.184%0.84481%0.805SS**  trans-80.7106.1150.731.2-26.1000110.5
160Q21.9Very low25.4Very low166 Ų166142.5 Ų142.578%0.77680%0.802SS**  trans-86.9121.2159.3-81.9-177.3-2500109.2L158L158-Q160 PolarHBondContact O-N 3.15Å
161K29.6Very low25.5Very low210 Ų210138.6 Ų138.691%0.91380%0.796SS**  trans-106136.5155.7-87.2-171177.3-179.10109
162H25.2Very low25.5Very low170 Ų170140.1 Ų140.179%0.78780%0.801SS**  trans-70.8139.9-168.1-68.3-89.3000115.2
163S21Very low25.7Very low111 Ų111141.3 Ų141.378%0.77680%0.799SS**  trans36133.2130.7-540000124.2
164A23.7Very low25.7Very low108 Ų108140.4 Ų140.489%0.89380%0.796SS**  trans89.1121.913500000120.1
165G24.2Very low25.5Very low76 Ų76138.4 Ų138.478%0.78479%0.785SS**  trans155.476.8161.500000115.3L167G165-L167 PolarHBondContact O-N 2.96Å
166T22.9Very low26.1Very low134 Ų134141.5 Ų141.582%0.82279%0.787SS**  trans-60.8119.5162.7-60.20000110.4
167L28.4Very low26.5Very low177 Ų177141 Ų14193%0.92778%0.778SS**  trans-126.6100.4151.6-82.4176.8000108.7G165G165-L167 PolarHBondContact O-N 2.96Å
168R20.1Very low26.8Very low206 Ų206143 Ų14378%0.77778%0.783SS**  trans-66.9120.1165.3-171.5-179.6178.5-178.12107.7D170R168-D170 IonicContact CZ-OD2 3.69Å; R168-D170 IonicContact NE-OD2 2.93Å; R168-D170 PolarHBondContact NE-OD2 3.38Å; R168-D170 IonicContact NH2-OD2 3.55Å
169S29.9Very low27.8Very low117 Ų117142.4 Ų142.482%0.81878%0.776SS**  trans-128.980.1161.4177.50000106.9
170D24.7Very low28.4Very low117 Ų117141.8 Ų141.863%0.62677%0.765SS**  trans-66.4146160.4-70.7-47000108.8R168R168-D170 IonicContact CZ-OD2 3.69Å; R168-D170 IonicContact NE-OD2 2.93Å; R168-D170 PolarHBondContact NE-OD2 3.38Å; R168-D170 IonicContact NH2-OD2 3.55Å
171C24.4Very low29.2Very low96 Ų96141.1 Ų141.165%0.64976%0.76SS**  trans93.785.8161.9-137.20000117.8
172F31.7Very low30Very low207 Ų207136.1 Ų136.191%0.90875%0.747SS**  -127.298.5119.1-91.8-81.4000108.7
173K25.6Very low30.6Very low161 Ų161134.6 Ų134.670%0.774%0.74SS**  trans-74.4104.2161.3-79.8-93.9-174.21770107.1
174D32.2Very low31.5Very low149 Ų149136.1 Ų136.180%0.79774%0.735SS**  trans-105.979.2148.3-82.4-24.9000106.9H176D174-H176 PolarHBondContact O-N 3.2Å
175S27.2Very low32.2Very low76 Ų76138.3 Ų138.353%0.53173%0.725SS.*  trans-78.593.5163.246.80000108.2
176H32Very low32.9Very low179 Ų179137 Ų13783%0.82971%0.706SS**  trans-106.885.4149.1-81.5-63.4000107.2D174 D178D174-H176 PolarHBondContact O-N 3.2Å; H176-D178 PolarHBondContact O-N 2.8Å
177T34.6Very low33.4Very low108 Ų108135.6 Ų135.666%0.66369%0.694SS**  trans-61.2109.4161.924.60000108.7E179T177-E179 HydrophobicContact CG2-CG 4.26Å; T177-E179 PolarHBondContact O-N 2.87Å
178D38.8Very low34Very low163 Ų163136.1 Ų136.187%0.87269%0.689SS**  trans-69.263.5163-88-27.3000109.6H176 N180H176-D178 PolarHBondContact O-N 2.8Å; D178-N180 VanDerWaalsContact C-N 3.34Å
179E39.6Very low35.1Very low130 Ų130131.9 Ų131.961%0.60769%0.686SS**  trans-89.9-2.3172.3-71.6-72.7163.400111.7T177 F181T177-E179 HydrophobicContact CG2-CG 4.26Å; T177-E179 PolarHBondContact O-N 2.87Å; E179-F181 VanDerWaalsContact C-N 3.35Å; E179-F181 PolarHBondContact O-N 3.22Å
180N38.1Very low35.6Very low116 Ų116130.3 Ų130.362%0.6268%0.675SS**Hα-helixtrans-82.3-7.8-171.5-147.732.9000114.7D178D178-N180 VanDerWaalsContact C-N 3.34Å
181F39.7Very low36.1Very low152 Ų152130.8 Ų130.867%0.66768%0.677SS**Hα-helixtrans-82.7-23.9-179.2-129-84.9000113.3E179E179-F181 VanDerWaalsContact C-N 3.35Å; E179-F181 PolarHBondContact O-N 3.22Å
182V46.4Very low36.4Very low105 Ų105128.2 Ų128.264%0.63667%0.668SS**Hα-helixtrans-81-35.1-179.4-175.40000110.8F185 A186V182-F185 PolarHBondContact O-N 2.83Å; V182-A186 WeakPolarHBondContact O-CB 3.41Å; V182-A186 PolarHBondContact O-N 2.81Å
183E37.2Very low36.5Very low139 Ų139124 Ų12465%0.6566%0.661SS**Hα-helixtrans-72.1-39.3178.1-81.5-177.7161.600112.7F185 A186 D187E183-F185 PolarHBondContact O-N 2.93Å; E183-A186 PolarHBondContact O-N 2.92Å; E183-A186 VanDerWaalsContact O-N 3.16Å; E183-D187 WeakPolarHBondContact O-CB 3.35Å; E183-D187 PolarHBondContact O-N 3.43Å
184E41.1Very low37.3Very low142 Ų142121.7 Ų121.766%0.66466%0.66SS**Hα-helixtrans-62.9-33.6174.6-170.2176.2-176.400111.7
185F37.1Very low37.6Very low154 Ų154119.9 Ų119.968%0.67565%0.65SS**Hα-helixtrans-71.5-38.2174.7-118.9-88.4000112.7V182 E183 V189V182-F185 PolarHBondContact O-N 2.83Å; E183-F185 PolarHBondContact O-N 2.93Å; F185-V189 VanDerWaalsContact O-CG2 3.3Å; F185-V189 WeakPolarHBondContact O-CG2 3.3Å
186A38.8Very low38.2Very low48 Ų48123.8 Ų123.840%0.39766%0.66SS.*Hα-helixtrans-75-34-177.900000112.9V182 E183 F188 V189 S190V182-A186 WeakPolarHBondContact O-CB 3.41Å; V182-A186 PolarHBondContact O-N 2.81Å; E183-A186 PolarHBondContact O-N 2.92Å; E183-A186 VanDerWaalsContact O-N 3.16Å; A186-F188 VanDerWaalsContact C-N 3.26Å; A186-F188 PolarHBondContact O-N 2.96Å; A186-V189 PolarHBondContact O-N 3.26Å; A186-S190 PolarHBondContact O-N 2.81Å; A186-S190 PolarHBondContact O-OG 3.39Å
187D34.7Very low38.4Very low105 Ų105121.1 Ų121.156%0.56165%0.652SS**Hα-helixtrans-71-25.4-179-142.617.9000111.9E183 N191E183-D187 WeakPolarHBondContact O-CB 3.35Å; E183-D187 PolarHBondContact O-N 3.43Å; D187-N191 PolarHBondContact O-ND2 2.92Å; D187-N191 PolarHBondContact OD1-ND2 2.99Å
188F40.6Very low38.5Very low189 Ų189126.9 Ų126.983%0.82966%0.662SS**Hα-helixtrans-72.4-30.3173.3-159.5-95.1000113A186A186-F188 VanDerWaalsContact C-N 3.26Å; A186-F188 PolarHBondContact O-N 2.96Å
189V42.7Very low38.3Very low117 Ų117122.9 Ų122.971%0.70965%0.651SS**Hα-helixtrans-78.4-25.9178.9-159.30000111.7F185 A186F185-V189 VanDerWaalsContact O-CG2 3.3Å; F185-V189 WeakPolarHBondContact O-CG2 3.3Å; A186-V189 PolarHBondContact O-N 3.26Å
190S40.2Very low37.8Very low84 Ų84122.6 Ų122.659%0.58765%0.653SS**Hα-helixtrans-88.1-25.2-167.5-53.80000114.1A186A186-S190 PolarHBondContact O-N 2.81Å; A186-S190 PolarHBondContact O-OG 3.39Å
191N34.6Very low37.7Very low126 Ų126126 Ų12667%0.67466%0.662SS**SBendtrans-104.811.7-171.3-66.4-43.2000114.8D187D187-N191 PolarHBondContact O-ND2 2.92Å; D187-N191 PolarHBondContact OD1-ND2 2.99Å
192G32Very low37.3Very low43 Ų43124 Ų12444%0.44367%0.665SS.*SBendtrans-82.5135.6170.900000111.4V194G192-V194 PolarHBondContact O-N 3.08Å; G192-V194 VanDerWaalsContact O-N 3.15Å
193P34.3Very low36.7Very low119 Ų119124.6 Ų124.677%0.77367%0.67SS**  trans-59.1123.2176.724.3-31.5000109.5D195P193-D195 PolarHBondContact O-N 2.78Å
194V42.3Very low36.8Very low111 Ų111126.2 Ų126.267%0.67368%0.678SS**  trans-69.277.6175.1177.90000107.9G192 E196G192-V194 PolarHBondContact O-N 3.08Å; G192-V194 VanDerWaalsContact O-N 3.15Å; V194-E196 HydrophobicContact CG1-CB 4.23Å; V194-E196 HydrophobicContact CG1-CG 3.44Å; V194-E196 VanDerWaalsContact CG1-CG 3.44Å; V194-E196 WeakPolarHBondContact CG1-OE1 3.44Å; V194-E196 PolarHBondContact O-N 3.06Å
195D37.9Very low36.4Very low112 Ų112124.9 Ų124.960%0.59968%0.679SS**  trans-76.583.7164.3-92.2-20.9000107.3P193 D197 W198P193-D195 PolarHBondContact O-N 2.78Å; D195-D197 PolarHBondContact O-N 3.43Å; D195-W198 VanDerWaalsContact O-CD1 3.28Å
196E39.7Very low36Very low157 Ų157126 Ų12673%0.73469%0.687SS**G310 helixtrans-73.63.5176.7-94169.4-165.700113.6V194V194-E196 HydrophobicContact CG1-CB 4.23Å; V194-E196 HydrophobicContact CG1-CG 3.44Å; V194-E196 VanDerWaalsContact CG1-CG 3.44Å; V194-E196 WeakPolarHBondContact CG1-OE1 3.44Å; V194-E196 PolarHBondContact O-N 3.06Å
197D36.8Very low35.7Very low123 Ų123132 Ų13266%0.65870%0.703SS**G310 helixtrans-93.73.5-172-77.8-22.6000115.6D195 A199D195-D197 PolarHBondContact O-N 3.43Å; D197-A199 PolarHBondContact O-N 3.04Å; D197-A199 VanDerWaalsContact O-N 3.14Å
198W36.5Very low35.4Very low229 Ų229135 Ų13587%0.86772%0.719SS**G310 helixtrans-68.4-11.9179.5-69.192.4000114.7D195D195-W198 VanDerWaalsContact O-CD1 3.28Å
199A33.1Very low34.9Very low79 Ų79131.6 Ų131.665%0.65371%0.709SS**G310 helixtrans-126.811.1-174.300000115D197 F201D197-A199 PolarHBondContact O-N 3.04Å; D197-A199 VanDerWaalsContact O-N 3.14Å; A199-F201 PolarHBondContact O-N 2.94Å
200I29Very low34.3Very low124 Ų124132 Ų13264%0.63671%0.712SS**  trans-95.697176.6-57-179.4000109.5
201F36Very low34Very low188 Ų188135.3 Ų135.383%0.82572%0.723SS**PPolyproline II helixtrans-73.9127168.7-66.7-86.1000109.8A199A199-F201 PolarHBondContact O-N 2.94Å
202P32.1Very low33.5Very low111 Ų111134.9 Ų134.972%0.72172%0.724SS**PPolyproline II helixtrans-69.1136.1178.725.7-31.5000111E204P202-E204 PolarHBondContact O-N 3.49Å
203P34.9Very low33.4Very low116 Ų116140.2 Ų140.275%0.75374%0.739SS**PPolyproline II helixtrans-70.6125.2-178.926.2-31.9000111.5V205P203-V205 PolarHBondContact O-N 2.91Å; P203-V205 VanDerWaalsContact O-N 3.08Å
204E38.4Very low33.3Very low174 Ų174140.8 Ų140.881%0.81374%0.736SS**  trans-59.8106.6173.6-72.4178.6152.900110.8P202 H206P202-E204 PolarHBondContact O-N 3.49Å; E204-H206 PolarHBondContact O-N 3.11Å
205V33.6Very low32.5Very low113 Ų113143.2 Ų143.269%0.68575%0.745SS**  trans-86.4105.3170.6179.90000108.3P203 K207P203-V205 PolarHBondContact O-N 2.91Å; P203-V205 VanDerWaalsContact O-N 3.08Å; V205-K207 HydrophobicContact CG1-CG 4.29Å; V205-K207 PolarHBondContact O-N 3.47Å
206H27.9Very low32.1Very low179 Ų179147.5 Ų147.583%0.82976%0.758SS**  trans-56.797.5167.1-63.8-69.2000110.6E204 N208E204-H206 PolarHBondContact O-N 3.11Å; H206-N208 PolarHBondContact O-N 3.07Å
207K32.4Very low31.7Very low172 Ų172145.3 Ų145.375%0.74876%0.758SS**  trans-88.589.2168.4-73.3-173.5179.6179.40109.8V205 I209V205-K207 HydrophobicContact CG1-CG 4.29Å; V205-K207 PolarHBondContact O-N 3.47Å; K207-I209 VanDerWaalsContact C-N 3.33Å; K207-I209 PolarHBondContact O-N 3.33Å
208N29.2Very low31.7Very low168 Ų168144.6 Ų144.690%0.89876%0.76SS**  trans-64.695.2146.1-102.4-26.2000107.4H206H206-N208 PolarHBondContact O-N 3.07Å
209I29.9Very low31.6Very low118 Ų118141.6 Ų141.661%0.60576%0.759SS**  trans-136.3112.4163.5-60.9-178.6000108.5K207 D211K207-I209 VanDerWaalsContact C-N 3.33Å; K207-I209 PolarHBondContact O-N 3.33Å; I209-D211 PolarHBondContact O-N 3.01Å; I209-D211 VanDerWaalsContact O-N 3.12Å
210V29.2Very low31.2Very low127 Ų127143 Ų14377%0.7776%0.76SS**  trans-57.498.3164176.20000108V212V210-V212 VanDerWaalsContact C-N 3.34Å; V210-V212 HydrophobicContact CG1-CG2 4.13Å; V210-V212 PolarHBondContact O-N 3.48Å; V210-V212 VanDerWaalsContact O-N 3.11Å
211D33.3Very low31.3Very low153 Ų153144 Ų14482%0.81877%0.767SS**  trans-80.990.7167.6-86.2-25000109.2I209I209-D211 PolarHBondContact O-N 3.01Å; I209-D211 VanDerWaalsContact O-N 3.12Å
212V25Very low30.8Very low116 Ų116140 Ų14070%0.70376%0.761SS**  trans-61.2119.3147.6171.10000107.6V210V210-V212 VanDerWaalsContact C-N 3.34Å; V210-V212 HydrophobicContact CG1-CG2 4.13Å; V210-V212 PolarHBondContact O-N 3.48Å; V210-V212 VanDerWaalsContact O-N 3.11Å
213M30Very low30.6Very low156 Ų156145.6 Ų145.677%0.76877%0.768SS**  trans-158.4129.1137.3-87.5-123.999.500111.8
214D31.8Very low30.3Very low130 Ų130146.9 Ų146.970%0.69577%0.769SS**  trans7295.2149.8-73.5-20.8000121.8K216D214-K216 PolarHBondContact O-N 3.22Å
215D25.6Very low29.8Very low163 Ų163143.9 Ų143.987%0.87277%0.767SS**  trans-13.3106.1134.1-75-42.5000117.2
216K29.9Very low29.8Very low201 Ų201146 Ų14687%0.87477%0.774SS**  -161.9152.5124.2-112.9-168.5175.2174.90112.5D214D214-K216 PolarHBondContact O-N 3.22Å
217P31.4Very low29.8Very low111 Ų111146 Ų14672%0.72177%0.774SS**  trans-91.4173.6-150.439.3-39.4000114.8
218P36.4Very low30Very low109 Ų109142.5 Ų142.571%0.70877%0.772SS**  trans-97.6150.6-14737.6-33.1000113.3
219I33.8Very low30.1Very low165 Ų165141.9 Ų141.985%0.84677%0.768SS**  trans-109.6100.7159.9-54176.6000107.3
220T25.3Very low30.5Very low109 Ų109142.8 Ų142.867%0.66977%0.774SS**  trans-69131.5160.948.80000110.2
221N30.5Very low30.9Very low146 Ų146144.2 Ų144.278%0.78178%0.777SS**  trans-170.1100.4149.8-84.1-26.3000104.1
222S25.7Very low31.6Very low102 Ų102144.7 Ų144.771%0.71378%0.775SS**  53.194.155.878.50000115.5
223R28.7Very low32.7Very low230 Ų230146.2 Ų146.287%0.86878%0.779SS**  trans175.4105.1135.8-104.6178166.5158.8-4108.3
224N27.9Very low33.3Very low143 Ų143148 Ų14877%0.76578%0.783SS**  77.1109.188.9-72.610.7000113.6
225S28.2Very low33.7Very low110 Ų110144.2 Ų144.277%0.76977%0.774SS**  52.5111117-139.50000118.1
226L32.9Very low34.4Very low159 Ų159143.5 Ų143.583%0.83277%0.77SS**  -157126.6126-149.575.7000110.3
227E28.9Very low35.1Very low177 Ų177142.4 Ų142.483%0.82777%0.766SS**  trans-57.9142.2161.5-66.5156.9147.300109.8
228S35.9Very low35.4Very low100 Ų100142.3 Ų142.370%0.69976%0.764SS**  trans-146.396.6158.8-49.40000107.1D230S228-D230 PolarHBondContact O-N 3.02Å
229D32.4Very low35.4Very low154 Ų154143.8 Ų143.882%0.82477%0.766SS**  trans-47.8119.6147.1-103.4-34000107.6
230D37.2Very low35.3Very low138 Ų138144.4 Ų144.474%0.73876%0.763SS**  trans-148.3121.9150.1-94.3-33.5000108.7S228 E232S228-D230 PolarHBondContact O-N 3.02Å; D230-E232 PolarHBondContact O-N 3.4Å; D230-E232 VanDerWaalsContact O-N 3.08Å
231N37.4Very low35.8Very low156 Ų156145.8 Ų145.883%0.83477%0.771SS**  trans-65.8101174.7-64.1-75.1000108.1D233N231-D233 PolarHBondContact O-N 3.08Å
232E48Very low36.1Very low164 Ų164144 Ų14477%0.76677%0.768SS**  trans-72.183.8171-66.6-75.2172.800108.7D230 F234D230-E232 PolarHBondContact O-N 3.4Å; D230-E232 VanDerWaalsContact O-N 3.08Å; E232-F234 PolarHBondContact O-N 3.43Å
233D47.9Very low36.4Very low148 Ų148146.5 Ų146.579%0.79177%0.773SS**  trans-50.8113.3162.1-17419.3000108.6N231 G235N231-D233 PolarHBondContact O-N 3.08Å; D233-G235 VanDerWaalsContact C-N 3.33Å; D233-G235 PolarHBondContact O-N 3.26Å
234F43Very low36.8Very low193 Ų193142 Ų14285%0.84677%0.765SS**  trans-66.490.2-175.1-75.6-94.4000109.8E232 D236E232-F234 PolarHBondContact O-N 3.43Å; F234-D236 PolarHBondContact O-N 3.31Å
235G41Very low36.9Very low50 Ų50141.4 Ų141.452%0.51577%0.766SS.*  trans-55.4132-179.100000113.6D233 F237D233-G235 VanDerWaalsContact C-N 3.33Å; D233-G235 PolarHBondContact O-N 3.26Å; G235-F237 WeakPolarHBondContact O-CD2 3.46Å; G235-F237 PolarHBondContact O-N 2.87Å
236D39.6Very low37Very low148 Ų148141.2 Ų141.279%0.79176%0.764SS**  trans-55.5116.6178.9-79.9-39.5000113F234 T238F234-D236 PolarHBondContact O-N 3.31Å; D236-T238 PolarHBondContact O-N 3.47Å
237F44.8Very low36.8Very low178 Ų178137.8 Ų137.878%0.78176%0.759SS**  trans-76.244.8178.5-68.7-84.2000113.9G235 F240G235-F237 WeakPolarHBondContact O-CD2 3.46Å; G235-F237 PolarHBondContact O-N 2.87Å; F237-F240 HydrophobicContact CD1-CE2 4.47Å
238T39Very low36.7Very low109 Ų109135.8 Ų135.867%0.66976%0.759SS**  trans-88.6-0.5-176.853.70000115.1D236D236-T238 PolarHBondContact O-N 3.47Å
239N34.5Very low36.7Very low141 Ų141137.2 Ų137.275%0.75476%0.763SS**  trans-132.865.9-176.4-66.9-43.1000114
240F33.5Very low36.6Very low178 Ų178135.5 Ų135.578%0.78176%0.759SS**  trans-12188.2156.8-79.4-77.3000110F237 P242F237-F240 HydrophobicContact CD1-CE2 4.47Å; F240-P242 WeakPolarHBondContact O-CD 3.3Å
241T34.7Very low36.3Very low137 Ų137135.5 Ų135.584%0.8476%0.758SS**  trans-74.2115.8157.727.50000108.6N243T241-N243 PolarHBondContact O-N 2.93Å
242P36Very low36Very low110 Ų110134.3 Ų134.371%0.71476%0.755SS**  trans-73.2123.2-175.527.9-31.5000110.3F240 I244F240-P242 WeakPolarHBondContact O-CD 3.3Å; P242-I244 PolarHBondContact O-N 3.06Å; P242-I244 VanDerWaalsContact O-N 3.16Å
243N32.7Very low35.2Very low153 Ų153133 Ų13382%0.81875%0.753SS**  trans-77.199.8171-163.18.2000108.3T241 V245T241-N243 PolarHBondContact O-N 2.93Å; N243-V245 PolarHBondContact O-N 2.75Å; N243-V245 VanDerWaalsContact O-N 3.08Å
244I36.6Very low34.3Very low137 Ų137132.5 Ų132.570%0.70375%0.75SS**  trans-67.7101.7179.5-58164.2000108.2P242 S246P242-I244 PolarHBondContact O-N 3.06Å; P242-I244 VanDerWaalsContact O-N 3.16Å; I244-S246 PolarHBondContact O-N 3.43Å
245V31.5Very low33.7Very low130 Ų130129 Ų12979%0.78875%0.747SS**  trans-82.2100.8164.9179.30000107.3N243 A247N243-V245 PolarHBondContact O-N 2.75Å; N243-V245 VanDerWaalsContact O-N 3.08Å; V245-A247 PolarHBondContact O-N 3.32Å; V245-A247 VanDerWaalsContact O-N 3.17Å
246S29.1Very low33.2Very low105 Ų105133.6 Ų133.673%0.73476%0.759SS**  trans-60.8110.9174.3-54.10000110.8I244I244-S246 PolarHBondContact O-N 3.43Å
247A29.6Very low32.8Very low87 Ų87134.5 Ų134.572%0.71976%0.764SS**  trans-93.5119.6162.100000108.9V245 T249V245-A247 PolarHBondContact O-N 3.32Å; V245-A247 VanDerWaalsContact O-N 3.17Å; A247-T249 PolarHBondContact O-N 2.94Å; A247-T249 VanDerWaalsContact O-N 3.12Å
248T27.3Very low32.1Very low135 Ų135130.5 Ų130.583%0.82876%0.764SS**  trans-57.6107.4-177.5-450000111.5T250T248-T250 PolarHBondContact O-N 3.44Å
249T35.4Very low31.5Very low130 Ų130133 Ų13380%0.79877%0.768SS**  trans-82.9109.4168.1-19.10000108.4A247 I251A247-T249 PolarHBondContact O-N 2.94Å; A247-T249 VanDerWaalsContact O-N 3.12Å; T249-I251 PolarHBondContact O-N 3.21Å; T249-I251 VanDerWaalsContact O-N 3.12Å
250T29.1Very low31.4Very low118 Ų118131.2 Ų131.272%0.72476%0.764SS**  trans-62111.1173.8-540000109.3T248 V252T248-T250 PolarHBondContact O-N 3.44Å; T250-V252 PolarHBondContact O-N 3.36Å; T250-V252 VanDerWaalsContact O-N 3.13Å
251I31Very low31.2Very low139 Ų139128.4 Ų128.471%0.71376%0.763SS**  trans-64.7106.1172.6-60.6169000107.9T249 N253T249-I251 PolarHBondContact O-N 3.21Å; T249-I251 VanDerWaalsContact O-N 3.12Å; I251-N253 PolarHBondContact O-N 3.14Å
252V32.2Very low31Very low130 Ų130131.5 Ų131.579%0.78877%0.765SS**  trans-77.6103.7162.9178.20000106.8T250 I254T250-V252 PolarHBondContact O-N 3.36Å; T250-V252 VanDerWaalsContact O-N 3.13Å; V252-I254 PolarHBondContact O-N 3.3Å
253N31Very low30.6Very low136 Ų136128.7 Ų128.773%0.72776%0.756SS**  trans-60121.2177.4-82.2-25.8000111.2I251 P255I251-N253 PolarHBondContact O-N 3.14Å; N253-P255 WeakPolarHBondContact O-CD 3.42Å
254I29.4Very low30.8Very low138 Ų138131.4 Ų131.471%0.70876%0.761SS**  trans-65.8122.3164.7-60.7161.9000108.3V252 N256V252-I254 PolarHBondContact O-N 3.3Å; I254-N256 PolarHBondContact O-N 3.27Å
255P29.6Very low30.7Very low121 Ų121134 Ų13479%0.78677%0.77SS**  trans-75.2107162.727.4-27.7000109.5N253 N257N253-P255 WeakPolarHBondContact O-CD 3.42Å; P255-N257 PolarHBondContact O-N 2.9Å
256N29.5Very low31Very low145 Ų145132.9 Ų132.978%0.77577%0.768SS**SBendtrans-60.293.3166.8-70.4-39.4000110.8I254I254-N256 PolarHBondContact O-N 3.27Å
257N32.2Very low31.8Very low168 Ų168133 Ų13390%0.89877%0.769SS**  trans173.373.8148.2-99.6-19.4000110.5P255P255-N257 PolarHBondContact O-N 2.9Å
258A29.8Very low32.8Very low94 Ų94134.6 Ų134.678%0.77777%0.77SS**  trans-138.8102156.300000106.8
259E26.5Very low33.9Very low162 Ų162130.1 Ų130.176%0.75774%0.743SS**PPolyproline II helixtrans-46.2132.6168.1-166.4179.317100109
260P32Very low35.1Very low102 Ų102126 Ų12666%0.66273%0.726SS**PPolyproline II helixtrans-58127.2-173.622.8-32.6000108.6K262P260-K262 PolarHBondContact O-N 3.12Å
261P30.1Very low36.7Very low119 Ų119126.8 Ų126.877%0.77372%0.724SS**PPolyproline II helixtrans-55.9119.9173.321.8-29.8000107.2G263P261-G263 PolarHBondContact O-N 3.16Å
262K29.2Very low37.8Very low202 Ų202125.7 Ų125.788%0.87872%0.719SS**  trans-61.767164.5-70.2177.7178.2169.40108.8P260P260-K262 PolarHBondContact O-N 3.12Å
263G29.1Very low39.3Very low51 Ų51124 Ų12453%0.52670%0.703SS.*  trans-122.9106.1163.100000104P261 Q265P261-G263 PolarHBondContact O-N 3.16Å; G263-Q265 PolarHBondContact O-N 3.12Å
264K36.9Very low40.8Very low210 Ų210122.6 Ų122.691%0.91369%0.688SS**  trans-56.894.4163.5-69.6174.9177.5178.90105.4S266K264-S266 VanDerWaalsContact C-N 3.27Å; K264-S266 PolarHBondContact O-N 3.21Å
265Q33Very low42.5Very low192 Ų192120.6 Ų120.690%0.89768%0.678SS**  trans-58.9103.7164.8-82-179.8-22.500104.1G263 S267G263-Q265 PolarHBondContact O-N 3.12Å; Q265-S267 PolarHBondContact O-N 3.42Å
266S38.6Very low44.2Very low106 Ų106117.2 Ų117.274%0.74165%0.653SS**  trans-53.7114.9173.247.40000106.4K264 T268K264-S266 VanDerWaalsContact C-N 3.27Å; K264-S266 PolarHBondContact O-N 3.21Å; S266-T268 PolarHBondContact O-N 3.37Å; S266-T268 VanDerWaalsContact O-N 3.1Å
267S47.2Very low46.1Very low109 Ų109115.1 Ų115.176%0.76264%0.638SS**  trans-44.4122.7170.3177.20000107.3Q265 P269Q265-S267 PolarHBondContact O-N 3.42Å; S267-P269 VanDerWaalsContact O-N 3.12Å
268T50.1Low47.8Very low119 Ų119114.5 Ų114.573%0.7363%0.628SS**PPolyproline II helixtrans-50.6123.6175.743.50000107.8S266 G270S266-T268 PolarHBondContact O-N 3.37Å; S266-T268 VanDerWaalsContact O-N 3.1Å; T268-G270 PolarHBondContact O-N 3.46Å
269P50.1Low49.5Very low41 Ų41113.2 Ų113.227%0.26661%0.608SS.*PPolyproline II helixtrans-56.1131.6-17718.4-29.7000109.1S267 E273 R274S267-P269 VanDerWaalsContact O-N 3.12Å; P269-E273 VanDerWaalsContact CA-OE2 3.28Å; P269-E273 WeakPolarHBondContact CA-OE2 3.33Å; P269-E273 HydrophobicContact CB-CB 3.72Å; P269-E273 VanDerWaalsContact CB-CD 3.46Å; P269-E273 HydrophobicContact CB-CG 3.57Å; P269-E273 VanDerWaalsContact CB-OE2 3.23Å; P269-E273 WeakPolarHBondContact CB-OE2 3.23Å; P269-R274 HydrophobicContact CB-CG 4.2Å; P269-R274 HydrophobicContact CG-CG 3.88Å; P269-R274 PolarHBondContact O-NE 3.28Å
270G59.7Low51.7Low43 Ų43107.6 Ų107.644%0.44358%0.581SS.*PPolyproline II helixtrans-54.2159.4177.500000110.6T268 L272 E273 R274T268-G270 PolarHBondContact O-N 3.46Å; G270-L272 PolarHBondContact O-N 3.45Å; G270-E273 WeakPolarHBondContact O-CA 3.45Å; G270-E273 WeakPolarHBondContact O-CB 3.39Å; G270-E273 PolarHBondContact O-N 3.36Å; G270-R274 PolarHBondContact O-N 2.73Å
271I63.5Low53.3Low135 Ų135106.7 Ų106.769%0.69258%0.575SS**Hα-helixtrans-51.4-37-178.5-166.2112.9000112.4R274 L275I271-R274 PolarHBondContact O-N 3.41Å; I271-L275 WeakPolarHBondContact O-CB 3.2Å; I271-L275 PolarHBondContact O-N 3.26Å
272L53.3Low55Low116 Ų116104.6 Ų104.661%0.60756%0.563SS**Hα-helixtrans-65-43.8175.4-176.265.3000112.1G270 L275 L276G270-L272 PolarHBondContact O-N 3.45Å; L272-L275 PolarHBondContact O-N 3.31Å; L272-L276 HydrophobicContact CD1-CD1 4.37Å; L272-L276 HydrophobicContact CD1-CG 4.45Å; L272-L276 HydrophobicContact CG-CD1 4.03Å; L272-L276 HydrophobicContact CG-CG 4.5Å; L272-L276 WeakPolarHBondContact O-CB 3.19Å; L272-L276 VanDerWaalsContact O-CG 3.23Å; L272-L276 WeakPolarHBondContact O-CG 3.42Å; L272-L276 PolarHBondContact O-N 3.13Å
273E64.6Low56.2Low95 Ų9596.9 Ų96.944%0.44453%0.532SS..Hα-helixtrans-67.4-38.9178.6-172.9174.1-166.300111.1P269 G270 L276 Q277P269-E273 VanDerWaalsContact CA-OE2 3.28Å; P269-E273 WeakPolarHBondContact CA-OE2 3.33Å; P269-E273 HydrophobicContact CB-CB 3.72Å; P269-E273 VanDerWaalsContact CB-CD 3.46Å; P269-E273 HydrophobicContact CB-CG 3.57Å; P269-E273 VanDerWaalsContact CB-OE2 3.23Å; P269-E273 WeakPolarHBondContact CB-OE2 3.23Å; G270-E273 WeakPolarHBondContact O-CA 3.45Å; G270-E273 WeakPolarHBondContact O-CB 3.39Å; G270-E273 PolarHBondContact O-N 3.36Å; E273-L276 PolarHBondContact O-N 3.43Å; E273-Q277 WeakPolarHBondContact O-CB 3.4Å; E273-Q277 PolarHBondContact O-N 3.27Å
274R62.1Low57.6Low107 Ų10798.1 Ų98.140%0.40453%0.526SS..Hα-helixtrans-62-42.9171.4-77.4-171-83.6161.5-5.1112.6P269 G270 I271 Q277 K278P269-R274 HydrophobicContact CB-CG 4.2Å; P269-R274 HydrophobicContact CG-CG 3.88Å; P269-R274 PolarHBondContact O-NE 3.28Å; G270-R274 PolarHBondContact O-N 2.73Å; I271-R274 PolarHBondContact O-N 3.41Å; R274-Q277 PolarHBondContact O-N 3.41Å; R274-K278 WeakPolarHBondContact O-CG 3.3Å; R274-K278 PolarHBondContact O-N 3.36Å; R274-K278 VanDerWaalsContact O-N 3.08Å
275L64.6Low58.8Low96 Ų9696.3 Ų96.350%0.50352%0.518SS..Hα-helixtrans-64-47.2177.5-168.482.5000110.8I271 L272 Q277 K278 L279I271-L275 WeakPolarHBondContact O-CB 3.2Å; I271-L275 PolarHBondContact O-N 3.26Å; L272-L275 PolarHBondContact O-N 3.31Å; L275-Q277 VanDerWaalsContact C-N 3.35Å; L275-Q277 PolarHBondContact O-N 3.18Å; L275-K278 PolarHBondContact O-N 3.32Å; L275-L279 HydrophobicContact CD2-CD1 4.31Å; L275-L279 HydrophobicContact CG-CD1 4.1Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.26Å
276L67Low59.7Low49 Ų4990.4 Ų90.426%0.25750%0.502SS..Hα-helixtrans-63.2-40.9178.2-70.7171.9000111.5L272 E273 K278 L279 E280 W342L272-L276 HydrophobicContact CD1-CD1 4.37Å; L272-L276 HydrophobicContact CD1-CG 4.45Å; L272-L276 HydrophobicContact CG-CD1 4.03Å; L272-L276 HydrophobicContact CG-CG 4.5Å; L272-L276 WeakPolarHBondContact O-CB 3.19Å; L272-L276 VanDerWaalsContact O-CG 3.23Å; L272-L276 WeakPolarHBondContact O-CG 3.42Å; L272-L276 PolarHBondContact O-N 3.13Å; E273-L276 PolarHBondContact O-N 3.43Å; L276-K278 VanDerWaalsContact C-N 3.28Å; L276-K278 PolarHBondContact O-N 2.82Å; L276-L279 CarbonylContact O-C 3.57Å; L276-L279 PolarHBondContact O-N 2.99Å; L276-L279 VanDerWaalsContact O-N 3.15Å; L276-E280 WeakPolarHBondContact O-CB 3.47Å; L276-E280 PolarHBondContact O-N 2.92Å; L276-W342 HydrophobicContact CD2-CD2 4.36Å; L276-W342 HydrophobicContact CD2-CH2 3.83Å; L276-W342 HydrophobicContact CD2-CZ2 3.41Å; L276-W342 VanDerWaalsContact CD2-CZ2 3.41Å; L276-W342 HydrophobicContact CD2-CZ3 4.45Å
277Q67.7Low60.4Low101 Ų10190.9 Ų90.947%0.47249%0.491SS..Hα-helixtrans-65.5-29.7176.9-163173.92400112.5E273 R274 L275E273-Q277 WeakPolarHBondContact O-CB 3.4Å; E273-Q277 PolarHBondContact O-N 3.27Å; R274-Q277 PolarHBondContact O-N 3.41Å; L275-Q277 VanDerWaalsContact C-N 3.35Å; L275-Q277 PolarHBondContact O-N 3.18Å
278K69Low60.3Low155 Ų15586.6 Ų86.667%0.67446%0.464SS*.Hα-helixtrans-78.2-29.5172.2-75.9-70.3-175.8-177.30113.3R274 L275 L276R274-K278 WeakPolarHBondContact O-CG 3.3Å; R274-K278 PolarHBondContact O-N 3.36Å; R274-K278 VanDerWaalsContact O-N 3.08Å; L275-K278 PolarHBondContact O-N 3.32Å; L276-K278 VanDerWaalsContact C-N 3.28Å; L276-K278 PolarHBondContact O-N 2.82Å
279L66.2Low60.1Low68 Ų6887.3 Ų87.336%0.35646%0.463SS..Hα-helixtrans-83.6-23.8177-71.1171000112.8L275 L276 S282 L283L275-L279 HydrophobicContact CD2-CD1 4.31Å; L275-L279 HydrophobicContact CG-CD1 4.1Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.26Å; L276-L279 CarbonylContact O-C 3.57Å; L276-L279 PolarHBondContact O-N 2.99Å; L276-L279 VanDerWaalsContact O-N 3.15Å; L279-S282 WeakPolarHBondContact O-CA 3.42Å; L279-S282 WeakPolarHBondContact O-CB 3.23Å; L279-S282 PolarHBondContact O-N 3.15Å; L279-L283 HydrophobicContact CB-CD1 4.04Å; L279-L283 WeakPolarHBondContact O-CG 3.42Å; L279-L283 PolarHBondContact O-N 3.47Å
280E71.3Confident59.8Low43 Ų4393.3 Ų93.320%0.20149%0.487CS..Hα-helixtrans-50.3-48.8-178.1-164.5168.7-157.700112.3L276 S282 L283 D284 R340L276-E280 WeakPolarHBondContact O-CB 3.47Å; L276-E280 PolarHBondContact O-N 2.92Å; E280-S282 PolarHBondContact O-N 3.43Å; E280-L283 PolarHBondContact O-N 3.13Å; E280-D284 WeakPolarHBondContact O-CB 3.28Å; E280-D284 PolarHBondContact O-N 2.97Å; E280-R340 WeakPolarHBondContact OE1-CG 3.49Å; E280-R340 IonicContact OE1-CZ 2.98Å; E280-R340 IonicContact OE1-NE 3.81Å; E280-R340 PolarHBondContact OE1-NE 3.45Å; E280-R340 IonicContact OE2-CZ 3.25Å; E280-R340 IonicContact OE2-NE 3.97Å; E280-R340 IonicContact OE2-NH2 3.51Å; E280-R340 PolarHBondContact OE2-NH2 3Å
281P65.6Low58.8Low84 Ų8497.7 Ų97.755%0.54549%0.494SS..Hα-helixtrans-65.6-35.3177-1831.6000113.5K285P281-K285 WeakPolarHBondContact O-CB 3.47Å; P281-K285 PolarHBondContact O-N 2.99Å
282S65.9Low57.3Low74 Ų7497 Ų9752%0.51749%0.492SS..Hα-helixtrans-69.7-36.5178.1-61.40000111.4L279 E280 K285 A286L279-S282 WeakPolarHBondContact O-CA 3.42Å; L279-S282 WeakPolarHBondContact O-CB 3.23Å; L279-S282 PolarHBondContact O-N 3.15Å; E280-S282 PolarHBondContact O-N 3.43Å; S282-K285 PolarHBondContact O-N 3.27Å; S282-A286 WeakPolarHBondContact O-CB 3.46Å; S282-A286 PolarHBondContact O-N 3.13Å
283L55.4Low56.3Low41 Ų4199.6 Ų99.622%0.21550%0.501CS..Hα-helixtrans-75.4-39.9176.5-67.2168.1000111.3L279 E280 K285 A286 F287 W342L279-L283 HydrophobicContact CB-CD1 4.04Å; L279-L283 WeakPolarHBondContact O-CG 3.42Å; L279-L283 PolarHBondContact O-N 3.47Å; E280-L283 PolarHBondContact O-N 3.13Å; L283-K285 PolarHBondContact O-N 3.45Å; L283-A286 PolarHBondContact O-N 3.38Å; L283-A286 VanDerWaalsContact O-N 3.17Å; L283-F287 HydrophobicContact CB-CD2 4.3Å; L283-F287 HydrophobicContact CD2-CD2 4.07Å; L283-F287 HydrophobicContact CD2-CE2 3.7Å; L283-F287 WeakPolarHBondContact O-CB 3.4Å; L283-F287 VanDerWaalsContact O-CD2 3.31Å; L283-F287 WeakPolarHBondContact O-CD2 3.35Å; L283-F287 PolarHBondContact O-N 2.81Å; L283-W342 HydrophobicContact CD1-CH2 4.04Å; L283-W342 HydrophobicContact CD1-CZ2 3.21Å
284D58.1Low54.7Low77 Ų77103.9 Ų103.941%0.41252%0.521SS..Hα-helixtrans-62.1-32.6169.8-79-15000111.2E280 G288 I341E280-D284 WeakPolarHBondContact O-CB 3.28Å; E280-D284 PolarHBondContact O-N 2.97Å; D284-G288 WeakPolarHBondContact O-CA 3.32Å; D284-G288 PolarHBondContact O-N 3.44Å; D284-I341 VanDerWaalsContact OD1-CD1 3.29Å; D284-I341 WeakPolarHBondContact OD1-CD1 3.33Å
285K61.9Low53.3Low172 Ų172103.9 Ų103.975%0.74853%0.533SS*.Hα-helixtrans-72.2-38.2172.8-163.7170.6-175.7177.20112.5P281 S282 L283P281-K285 WeakPolarHBondContact O-CB 3.47Å; P281-K285 PolarHBondContact O-N 2.99Å; S282-K285 PolarHBondContact O-N 3.27Å; L283-K285 PolarHBondContact O-N 3.45Å
286A53Low52.2Low67 Ų67106.7 Ų106.755%0.55455%0.548SS*.Hα-helixtrans-74.6-33.7179.200000113.3S282 L283S282-A286 WeakPolarHBondContact O-CB 3.46Å; S282-A286 PolarHBondContact O-N 3.13Å; L283-A286 PolarHBondContact O-N 3.38Å; L283-A286 VanDerWaalsContact O-N 3.17Å
287F51.5Low50.7Low117 Ų117113.4 Ų113.451%0.51358%0.578SS.*Hα-helixtrans-122.9-22.8-171-60.5-71.7000114L283 L289 H290L283-F287 HydrophobicContact CB-CD2 4.3Å; L283-F287 HydrophobicContact CD2-CD2 4.07Å; L283-F287 HydrophobicContact CD2-CE2 3.7Å; L283-F287 WeakPolarHBondContact O-CB 3.4Å; L283-F287 VanDerWaalsContact O-CD2 3.31Å; L283-F287 WeakPolarHBondContact O-CD2 3.35Å; L283-F287 PolarHBondContact O-N 2.81Å; F287-L289 VanDerWaalsContact C-N 3.34Å; F287-L289 PolarHBondContact O-N 3.33Å; F287-H290 PolarHBondContact O-N 3.46Å
288G45.7Very low49.1Very low19 Ų19114.9 Ų114.920%0.19659%0.589CS.*G310 helixtrans-74.9-16.5-17700000114.6D284 H290 F291D284-G288 WeakPolarHBondContact O-CA 3.32Å; D284-G288 PolarHBondContact O-N 3.44Å; G288-H290 PolarHBondContact O-N 3.06Å; G288-H290 VanDerWaalsContact O-N 3.15Å; G288-F291 CarbonylContact O-C 3.45Å; G288-F291 PolarHBondContact O-N 3.37Å
289L45.9Very low47.3Very low134 Ų134113.3 Ų113.370%0.70259%0.587SS**G310 helixtrans-61.7-17.5167.1-91.3163.4000113F287F287-L289 VanDerWaalsContact C-N 3.34Å; F287-L289 PolarHBondContact O-N 3.33Å
290H44.8Very low45.8Very low167 Ų167117.9 Ų117.977%0.77361%0.612SS**G310 helixtrans-86.6-3.1171.7-82-80.9000114.4F287 G288F287-H290 PolarHBondContact O-N 3.46Å; G288-H290 PolarHBondContact O-N 3.06Å; G288-H290 VanDerWaalsContact O-N 3.15Å
291F37.3Very low43.9Very low134 Ų134119.3 Ų119.359%0.58863%0.627SS**  trans-128.940.5-178.1-62.4-76.2000111.9G288 H293G288-F291 CarbonylContact O-C 3.45Å; G288-F291 PolarHBondContact O-N 3.37Å; F291-H293 PolarHBondContact O-N 2.9Å
292N32.1Very low42.4Very low121 Ų121118.3 Ų118.365%0.64762%0.622SS**  trans-69.5101.2162.9-89-33.3000109.5Q294N292-Q294 PolarHBondContact O-N 2.99Å
293H32.7Very low40.7Very low171 Ų171120.9 Ų120.979%0.79263%0.629SS**  trans382.5135.5-65.5-80000115F291 T295F291-H293 PolarHBondContact O-N 2.9Å; H293-T295 PolarHBondContact O-N 3.39Å
294Q30.8Very low39.6Very low185 Ų185126.8 Ų126.886%0.86466%0.655SS**  trans-81.678.3136.6-75.6-178.6300105.7N292N292-Q294 PolarHBondContact O-N 2.99Å
295T33Very low38.5Very low107 Ų107128.4 Ų128.466%0.65667%0.668SS**  38.297.1115.353.40000112H293 E297H293-T295 PolarHBondContact O-N 3.39Å; T295-E297 PolarHBondContact O-N 3.23Å
296D40.9Very low36.9Very low155 Ų155126.7 Ų126.783%0.82967%0.667SS**SBendtrans17.3105.5133-58.7-40.9000114.1
297E36.4Very low35.7Very low189 Ų189128.2 Ų128.288%0.88367%0.665SS**SBendtrans176.5-7.1142.7-85.5-99.9143.800111.7T295T295-E297 PolarHBondContact O-N 3.23Å
298N33.5Very low34.7Very low133 Ų133128.6 Ų128.671%0.71167%0.671SS**SBendtrans-140.718.4-176.7-127.8-3.2000118.6N300 S301N298-N300 VanDerWaalsContact C-N 3.33Å; N298-N300 PolarHBondContact O-N 3.05Å; N298-S301 PolarHBondContact O-OG 3.23Å
299L31.8Very low33.9Very low121 Ų121132.4 Ų132.463%0.63470%0.695SS**THydrogen-bonded Turntrans-8710.3177.2-76.5174.9000115.5S301 I303L299-S301 VanDerWaalsContact C-N 3.26Å; L299-S301 PolarHBondContact O-N 3.44Å; L299-I303 WeakPolarHBondContact O-CG1 3.1Å
300N34.7Very low33.1Very low164 Ų164135.9 Ų135.988%0.87770%0.699SS**THydrogen-bonded Turntrans-76.8-9.5167.5-77.3-18.8000113.4N298N298-N300 VanDerWaalsContact C-N 3.33Å; N298-N300 PolarHBondContact O-N 3.05Å
301S31.5Very low32.3Very low73 Ų73135.6 Ų135.651%0.5170%0.702SS.*THydrogen-bonded Turntrans-102.7-18175.359.50000115N298 L299N298-S301 PolarHBondContact O-OG 3.23Å; L299-S301 VanDerWaalsContact C-N 3.26Å; L299-S301 PolarHBondContact O-N 3.44Å
302S32.6Very low31.8Very low64 Ų64136.9 Ų136.945%0.44871%0.709SS.*THydrogen-bonded Turntrans-101.8-6-178.8-67.60000114.8E304 T305S302-E304 PolarHBondContact O-N 3.01Å; S302-T305 PolarHBondContact O-OG1 3.19Å
303I32Very low31.5Very low128 Ų128137.4 Ų137.466%0.65672%0.717SS**G310 helixtrans-73.5-14.9166.8-66.3171000110.8L299 T305L299-I303 WeakPolarHBondContact O-CG1 3.1Å; I303-T305 VanDerWaalsContact C-N 3.34Å
304E32.2Very low31.2Very low164 Ų164136.9 Ų136.977%0.76672%0.721SS**G310 helixtrans-77.7-15.9176.3-148.9167.3-161.900113.5S302S302-E304 PolarHBondContact O-N 3.01Å
305T35.3Very low31.1Very low111 Ų111135.6 Ų135.668%0.68172%0.718SS**G310 helixtrans-103.71.8-174.631.20000116.1S302 I303S302-T305 PolarHBondContact O-OG1 3.19Å; I303-T305 VanDerWaalsContact C-N 3.34Å
306L27.4Very low30.6Very low137 Ų137137.5 Ų137.572%0.71772%0.724SS**  trans-111.921.8172.1-101.7156.4000113.9I308L306-I308 HydrophobicContact CD2-CD1 3.51Å; L306-I308 HydrophobicContact CD2-CG1 4.04Å; L306-I308 PolarHBondContact O-N 3.01Å
307N27.5Very low29.8Very low99 Ų99139.5 Ų139.553%0.52973%0.725SS.*  trans-81.473.7151.7-91.1-36.5000109.2S309 R310N307-S309 PolarHBondContact O-N 3.38Å; N307-R310 PolarHBondContact O-N 3.06Å; N307-R310 VanDerWaalsContact O-N 3.16Å
308I30.9Very low29.2Very low125 Ų125134.9 Ų134.964%0.64171%0.714SS**G310 helixtrans-61.3-6.3173.1-67.8172.2000111.9L306L306-I308 HydrophobicContact CD2-CD1 3.51Å; L306-I308 HydrophobicContact CD2-CG1 4.04Å; L306-I308 PolarHBondContact O-N 3.01Å
309S29Very low28.8Very low98 Ų98136.2 Ų136.269%0.68572%0.719SS**G310 helixtrans-87.28.4172.746.50000115.8N307N307-S309 PolarHBondContact O-N 3.38Å
310R29.4Very low28.3Very low207 Ų207133.9 Ų133.978%0.78172%0.724SS**G310 helixtrans-116.12.7172.7-85.1-171.3179.6171.91.6116.6N307 H312N307-R310 PolarHBondContact O-N 3.06Å; N307-R310 VanDerWaalsContact O-N 3.16Å; R310-H312 VanDerWaalsContact C-N 3.28Å
311L26.9Very low27.8Very low161 Ų161132 Ų13284%0.84372%0.724SS**SBendtrans-84.51171.6-80.1170.9000114.3
312H27.7Very low27.4Very low161 Ų161133.2 Ų133.275%0.74573%0.733SS**SBendtrans-96.8123.3157.3-69.9-94.8000107.9R310R310-H312 VanDerWaalsContact C-N 3.28Å
313T26.2Very low26.9Very low133 Ų133134.5 Ų134.582%0.81674%0.742SS**  trans93.366.218075.20000116.7
314N25.3Very low26.6Very low160 Ų160136 Ų13686%0.85675%0.751SS**  trans-134.660.2145.6-134.5-17.9000110.3
315I28.5Very low26.2Very low158 Ų158137.5 Ų137.581%0.8176%0.755SS**  trans-9999.1158.6-54.5174.7000105.9K317I315-K317 PolarHBondContact O-N 3.38Å
316N23.6Very low25.8Very low146 Ų146138.6 Ų138.678%0.78176%0.761SS**  trans18.694.1145.7-67.6-33.2000117.2
317K24.6Very low25.7Very low198 Ų198137.3 Ų137.386%0.86176%0.764SS**  -171105.5128.4-116.2174.1177.9175.20113.3I315I315-K317 PolarHBondContact O-N 3.38Å
318S22Very low25.5Very low92 Ų92138.5 Ų138.564%0.64378%0.775SS**  trans51.8133.8132.384.50000122.1
319I24.9Very low25.2Very low160 Ų160137.4 Ų137.482%0.82178%0.778SS**  trans90.497142.5-66.9151.2000116.4
320G21.5Very low25.1Very low72 Ų72139.1 Ų139.174%0.74278%0.778SS**  trans5.5125.3150.200000119.5
321S24.3Very low24.9Very low125 Ų125136.3 Ų136.387%0.87478%0.779SS**  -153.2148.3125.2-136.20000111.5
322S23.3Very low25.1Very low99 Ų99133.7 Ų133.769%0.69277%0.774SS**  trans-67.9149.2-163.260.50000115.6
323S22.8Very low25.2Very low90 Ų90129.3 Ų129.363%0.62977%0.772SS**  trans39.497.9134173.30000116.9
324N26.1Very low25.3Very low159 Ų159130.5 Ų130.585%0.8577%0.773SS**  trans-120.197.3142.5-84.6-25.1000108.5V326N324-V326 PolarHBondContact O-N 3.03Å
325K24.3Very low25.6Very low196 Ų196129.8 Ų129.885%0.85277%0.769SS**  trans-55.8112.2158.6-72.4177.5173.8-1790107.6
326V26.6Very low26Very low134 Ų134129.9 Ų129.981%0.81277%0.769SS**  trans-116.2112.8159.7178.50000106.7N324N324-V326 PolarHBondContact O-N 3.03Å
327S24Very low26.8Very low111 Ų111127.9 Ų127.978%0.77676%0.763SS**  trans-54.6131.5-172.8-54.20000112.7S329S327-S329 PolarHBondContact O-N 3.31Å; S327-S329 VanDerWaalsContact O-N 3.09Å
328T23.8Very low27.3Very low123 Ų123123.8 Ų123.876%0.75575%0.75SS**  trans-6198.1162.536.80000109.8I330T328-I330 PolarHBondContact O-N 3.31Å
329S25Very low28.1Very low102 Ų102125.2 Ų125.271%0.71375%0.75SS**  trans-81.294159.9-1760000107.9S327 N331S327-S329 PolarHBondContact O-N 3.31Å; S327-S329 VanDerWaalsContact O-N 3.09Å; S329-N331 VanDerWaalsContact C-N 3.31Å; S329-N331 PolarHBondContact O-N 3.11Å
330I25.7Very low29Very low134 Ų134121.9 Ų121.969%0.68773%0.727SS**  trans-6788.7174.5-53.5159.8000107.2T328 S332T328-I330 PolarHBondContact O-N 3.31Å; I330-S332 PolarHBondContact O-N 3.42Å; I330-S332 VanDerWaalsContact O-N 3.15Å
331N25.6Very low30.3Very low148 Ų148120.5 Ų120.579%0.79170%0.703SS**  trans-84.170.1163-83.1-7000108.4S329 G333S329-N331 VanDerWaalsContact C-N 3.31Å; S329-N331 PolarHBondContact O-N 3.11Å; N331-G333 PolarHBondContact O-N 3.32Å; N331-G333 VanDerWaalsContact O-N 3.1Å
332S32Very low30.8Very low107 Ų107118 Ų11875%0.74867%0.674SS**THydrogen-bonded Turntrans-67.396.1161.551.60000108I330I330-S332 PolarHBondContact O-N 3.42Å; I330-S332 VanDerWaalsContact O-N 3.15Å
333G29.3Very low31.8Very low69 Ų69115.4 Ų115.471%0.71166%0.656SS**THydrogen-bonded Turntrans-176.6-16.8177.100000117.2N331N331-G333 PolarHBondContact O-N 3.32Å; N331-G333 VanDerWaalsContact O-N 3.1Å
334L27.4Very low32.8Very low158 Ų158119.4 Ų119.483%0.82766%0.657SS**SBendtrans-128.51.9-176.2-96.9121.9000116.5I336L334-I336 PolarHBondContact O-N 3.12Å
335N31.4Very low33.5Very low145 Ų145116.8 Ų116.878%0.77564%0.643SS**THydrogen-bonded Turntrans-89.17.2-176.6-99.1-4.7000116
336I38.5Very low34.2Very low159 Ų159110.1 Ų110.182%0.81562%0.62SS**THydrogen-bonded Turntrans-81.5-18179.7-62.6176.1000112.4L334L334-I336 PolarHBondContact O-N 3.12Å
337V40Very low35.1Very low105 Ų105106.8 Ų106.864%0.63660%0.597SS**G310 helixtrans-94.8-11.6-171.9-1680000114.3
338N35.2Very low36.1Very low111 Ų111105.8 Ų105.859%0.59459%0.588SS**G310 helixtrans-99.812.6-178.6-78.3-10.9000115R340 S343N338-R340 PolarHBondContact O-N 3.11Å; N338-S343 PolarHBondContact O-OG 3.34Å
339N38.5Very low37.4Very low122 Ų122106.1 Ų106.165%0.65259%0.586SS**G310 helixtrans-81.35.5168.3-94.9-1.5000113.7I341N339-I341 PolarHBondContact O-N 3.2Å
340R44.4Very low38.3Very low90 Ų90108.5 Ų108.534%0.3458%0.579SS.*  trans-55.1115.9168.3-107.9173.5-175.5167.32.1108.9E280 N338 W342 S343E280-R340 WeakPolarHBondContact OE1-CG 3.49Å; E280-R340 IonicContact OE1-CZ 2.98Å; E280-R340 IonicContact OE1-NE 3.81Å; E280-R340 PolarHBondContact OE1-NE 3.45Å; E280-R340 IonicContact OE2-CZ 3.25Å; E280-R340 IonicContact OE2-NE 3.97Å; E280-R340 IonicContact OE2-NH2 3.51Å; E280-R340 PolarHBondContact OE2-NH2 3Å; N338-R340 PolarHBondContact O-N 3.11Å; R340-W342 PolarHBondContact O-N 3.45Å; R340-S343 PolarHBondContact O-N 3.26Å; R340-S343 PolarHBondContact O-OG 3.21Å
341I47.9Very low39.2Very low44 Ų44105.3 Ų105.323%0.22656%0.563CS.*Hα-helixtrans-39.2-32.1172-83.6166.5000112.8D284 N339 R344 L345D284-I341 VanDerWaalsContact OD1-CD1 3.29Å; D284-I341 WeakPolarHBondContact OD1-CD1 3.33Å; N339-I341 PolarHBondContact O-N 3.2Å; I341-R344 PolarHBondContact O-N 3.12Å; I341-L345 HydrophobicContact CG2-CD1 3.45Å; I341-L345 VanDerWaalsContact CG2-CD1 3.45Å; I341-L345 HydrophobicContact CG2-CG 4.27Å; I341-L345 PolarHBondContact O-N 3.02Å
342W34.2Very low40Very low72 Ų72101.7 Ų101.727%0.27355%0.548SS..Hα-helixtrans-64.5-34.4175.2-65.1110.5000116.4L276 L283 R340 R344 L345 C346L276-W342 HydrophobicContact CD2-CD2 4.36Å; L276-W342 HydrophobicContact CD2-CH2 3.83Å; L276-W342 HydrophobicContact CD2-CZ2 3.41Å; L276-W342 VanDerWaalsContact CD2-CZ2 3.41Å; L276-W342 HydrophobicContact CD2-CZ3 4.45Å; L283-W342 HydrophobicContact CD1-CH2 4.04Å; L283-W342 HydrophobicContact CD1-CZ2 3.21Å; R340-W342 PolarHBondContact O-N 3.45Å; W342-R344 PolarHBondContact O-N 3.49Å; W342-L345 HydrophobicContact CE3-CD1 4.49Å; W342-L345 PolarHBondContact O-N 2.98Å; W342-C346 CarbonylContact O-C 3.57Å; W342-C346 VanDerWaalsContact O-CA 3.32Å; W342-C346 WeakPolarHBondContact O-CA 3.32Å; W342-C346 WeakPolarHBondContact O-CB 3.49Å; W342-C346 PolarHBondContact O-N 2.92Å
343S44.9Very low40.7Very low44 Ų44102.9 Ų102.931%0.30854%0.541SS..Hα-helixtrans-65.8-27.4175.2650000111.4N338 R340 N347N338-S343 PolarHBondContact O-OG 3.34Å; R340-S343 PolarHBondContact O-N 3.26Å; R340-S343 PolarHBondContact O-OG 3.21Å; S343-N347 WeakPolarHBondContact O-CA 3.49Å; S343-N347 PolarHBondContact O-N 3.2Å
344R43Very low41.6Very low175 Ų175103.4 Ų103.466%0.6653%0.527SS*.Hα-helixtrans-84-40175.4-64-173.8-179.9177.21.9112.9I341 W342I341-R344 PolarHBondContact O-N 3.12Å; W342-R344 PolarHBondContact O-N 3.49Å
345L41.2Very low42.6Very low104 Ų104100.9 Ų100.955%0.54551%0.514SS..Hα-helixtrans-74.7-41.9177.9-78.5168000112.7I341 W342I341-L345 HydrophobicContact CG2-CD1 3.45Å; I341-L345 VanDerWaalsContact CG2-CD1 3.45Å; I341-L345 HydrophobicContact CG2-CG 4.27Å; I341-L345 PolarHBondContact O-N 3.02Å; W342-L345 HydrophobicContact CE3-CD1 4.49Å; W342-L345 PolarHBondContact O-N 2.98Å
346C39.4Very low43.6Very low55 Ų55100 Ų10037%0.37251%0.506SS..SBendtrans-117.560.8-177.9-59.30000108.7W342 P348 L351W342-C346 CarbonylContact O-C 3.57Å; W342-C346 VanDerWaalsContact O-CA 3.32Å; W342-C346 WeakPolarHBondContact O-CA 3.32Å; W342-C346 WeakPolarHBondContact O-CB 3.49Å; W342-C346 PolarHBondContact O-N 2.92Å; C346-P348 VanDerWaalsContact O-CD 3.32Å; C346-P348 WeakPolarHBondContact O-CD 3.49Å; C346-L351 HydrophobicContact CB-CD1 4.38Å
347N44.8Very low44.5Very low64 Ų6496.5 Ų96.534%0.34249%0.485SS..  trans-60.6121.9168.4-158.40.6000106.9S343 D349 R350 L351S343-N347 WeakPolarHBondContact O-CA 3.49Å; S343-N347 PolarHBondContact O-N 3.2Å; N347-D349 PolarHBondContact O-N 3.33Å; N347-R350 HydrophobicContact CB-CB 4.41Å; N347-R350 HydrophobicContact CB-CG 4.37Å; N347-R350 PolarHBondContact O-N 2.83Å; N347-L351 PolarHBondContact O-N 2.81Å
348P46.9Very low45.3Very low90 Ų9095 Ų9558%0.58447%0.469SS*.THydrogen-bonded Turntrans-51.9-28.8179.916.8-31000113.2C346 R350 L351C346-P348 VanDerWaalsContact O-CD 3.32Å; C346-P348 WeakPolarHBondContact O-CD 3.49Å; P348-R350 VanDerWaalsContact C-N 3.33Å; P348-R350 PolarHBondContact O-N 3.12Å; P348-L351 PolarHBondContact O-N 3.41Å
349D50.5Low46.5Very low130 Ų13093.6 Ų93.670%0.69546%0.455SS*.THydrogen-bonded Turntrans-70.4-24.1175.8-61.8-27.2000113.7N347N347-D349 PolarHBondContact O-N 3.33Å
350R43.7Very low47.6Very low152 Ų15293.1 Ų93.157%0.57445%0.447SS*.THydrogen-bonded Turntrans-95.1-13.2177.7-71.7-172.3175.2-176.5-2.2114.1N347 P348 P352 E353 I354N347-R350 HydrophobicContact CB-CB 4.41Å; N347-R350 HydrophobicContact CB-CG 4.37Å; N347-R350 PolarHBondContact O-N 2.83Å; P348-R350 VanDerWaalsContact C-N 3.33Å; P348-R350 PolarHBondContact O-N 3.12Å; R350-P352 VanDerWaalsContact C-N 3.35Å; R350-E353 PolarHBondContact O-N 2.96Å; R350-I354 HydrophobicContact CB-CD1 4.18Å; R350-I354 WeakPolarHBondContact O-CG1 3.27Å; R350-I354 PolarHBondContact O-N 3.26Å
351L45.4Very low48.5Very low68 Ų6890.7 Ų90.736%0.35644%0.444SS..Hα-helixtrans-58.4-35.3179.1-97.6143.8000114C346 N347 P348 N355C346-L351 HydrophobicContact CB-CD1 4.38Å; N347-L351 PolarHBondContact O-N 2.81Å; P348-L351 PolarHBondContact O-N 3.41Å; L351-N355 VanDerWaalsContact O-CB 3.25Å; L351-N355 WeakPolarHBondContact O-CB 3.44Å; L351-N355 PolarHBondContact O-N 3.25Å
352P42.3Very low49.3Very low72 Ų7293.2 Ų93.247%0.46846%0.463SS..Hα-helixtrans-63.6-41.9174-20.532.1000112.5R350 Q356R350-P352 VanDerWaalsContact C-N 3.35Å; P352-Q356 WeakPolarHBondContact O-CB 3.44Å; P352-Q356 VanDerWaalsContact O-CG 3.26Å; P352-Q356 WeakPolarHBondContact O-CG 3.39Å; P352-Q356 PolarHBondContact O-N 3.03Å; P352-Q356 VanDerWaalsContact O-N 3.13Å
353E45.4Very low50.9Low131 Ų13196.4 Ų96.461%0.61248%0.484SS*.Hα-helixtrans-71.4-40.7-179.3-67.3177.7174.200111.6R350 Q356 H357R350-E353 PolarHBondContact O-N 2.96Å; E353-Q356 PolarHBondContact O-N 3.39Å; E353-H357 PolarHBondContact O-N 3.05Å
354I49.2Very low52.2Low81 Ų8195.6 Ų95.642%0.41548%0.475SS..Hα-helixtrans-69.4-42.3177.9-69.3168.6000111R350 Q356 H357 W358R350-I354 HydrophobicContact CB-CD1 4.18Å; R350-I354 WeakPolarHBondContact O-CG1 3.27Å; R350-I354 PolarHBondContact O-N 3.26Å; I354-Q356 PolarHBondContact O-N 3.49Å; I354-H357 PolarHBondContact O-N 2.84Å; I354-W358 WeakPolarHBondContact O-CB 3.37Å; I354-W358 PolarHBondContact O-N 3.37Å
355N47.4Very low53.3Low105 Ų10589.8 Ų89.856%0.56146%0.456SS*.Hα-helixtrans-66.4-27.7176.5-81.8-19.9000112.7L351 W358L351-N355 VanDerWaalsContact O-CB 3.25Å; L351-N355 WeakPolarHBondContact O-CB 3.44Å; L351-N355 PolarHBondContact O-N 3.25Å; N355-W358 PolarHBondContact O-NE1 2.91Å
356Q52.6Low54.6Low127 Ų12789.2 Ų89.259%0.59346%0.457SS*.Hα-helixtrans-81.9-17.7176.4-73.4-176.833.600113.7P352 E353 I354 W359P352-Q356 WeakPolarHBondContact O-CB 3.44Å; P352-Q356 VanDerWaalsContact O-CG 3.26Å; P352-Q356 WeakPolarHBondContact O-CG 3.39Å; P352-Q356 PolarHBondContact O-N 3.03Å; P352-Q356 VanDerWaalsContact O-N 3.13Å; E353-Q356 PolarHBondContact O-N 3.39Å; I354-Q356 PolarHBondContact O-N 3.49Å; Q356-W359 PolarHBondContact O-NE1 3.32Å
357H56.7Low56.2Low84 Ų8492.9 Ų92.939%0.38946%0.464SS..Hα-helixtrans-132.65.7-172.1-61.4-31.3000115.5E353 I354 W359 K360 S361E353-H357 PolarHBondContact O-N 3.05Å; I354-H357 PolarHBondContact O-N 2.84Å; H357-W359 PolarHBondContact O-N 2.9Å; H357-W359 VanDerWaalsContact O-N 3.12Å; H357-K360 HydrophobicContact CB-CB 4.47Å; H357-K360 HydrophobicContact CB-CD 4.23Å; H357-K360 HydrophobicContact CB-CG 4.49Å; H357-K360 WeakPolarHBondContact O-CA 3.25Å; H357-K360 VanDerWaalsContact O-CB 3.31Å; H357-K360 WeakPolarHBondContact O-CB 3.4Å; H357-K360 PolarHBondContact O-N 3.49Å; H357-S361 PolarHBondContact O-N 2.91Å
358W58.5Low57.4Low74 Ų7489.8 Ų89.828%0.2845%0.448SS..G310 helixtrans-55.3-32.8174.768.3-88.5000112I354 N355 K360 S361 F364 F382 L386I354-W358 WeakPolarHBondContact O-CB 3.37Å; I354-W358 PolarHBondContact O-N 3.37Å; N355-W358 PolarHBondContact O-NE1 2.91Å; W358-K360 PolarHBondContact O-N 3.43Å; W358-S361 WeakPolarHBondContact O-CB 3.26Å; W358-S361 PolarHBondContact O-N 3.14Å; W358-F364 HydrophobicContact CE3-CD1 4.4Å; W358-F364 HydrophobicContact CE3-CD2 4.16Å; W358-F364 HydrophobicContact CE3-CE1 4.5Å; W358-F364 HydrophobicContact CE3-CE2 4.34Å; W358-F364 HydrophobicContact CE3-CG 4.19Å; W358-F364 HydrophobicContact CE3-CZ 4.47Å; W358-F364 HydrophobicContact CH2-CE1 4.26Å; W358-F364 HydrophobicContact CH2-CE2 4.07Å; W358-F364 AromaticContact CH2-CZ 3.79Å; W358-F364 HydrophobicContact CH2-CZ 3.79Å; W358-F364 HydrophobicContact CZ3-CD1 4.13Å; W358-F364 AromaticContact CZ3-CD2 3.64Å; W358-F364 HydrophobicContact CZ3-CD2 3.64Å; W358-F364 AromaticContact CZ3-CE1 3.84Å; W358-F364 HydrophobicContact CZ3-CE1 3.84Å; W358-F364 AromaticContact CZ3-CE2 3.39Å; W358-F364 HydrophobicContact CZ3-CE2 3.39Å; W358-F364 AromaticContact CZ3-CG 3.99Å; W358-F364 HydrophobicContact CZ3-CG 3.99Å; W358-F364 AromaticContact CZ3-CZ 3.46Å; W358-F364 HydrophobicContact CZ3-CZ 3.46Å; W358-F364 VanDerWaalsContact CZ3-CZ 3.46Å; W358-F382 HydrophobicContact CH2-CB 3.98Å; W358-F382 HydrophobicContact CH2-CG 4.46Å; W358-F382 HydrophobicContact CZ2-CB 4.43Å; W358-L386 HydrophobicContact CH2-CD1 4.12Å; W358-L386 HydrophobicContact CZ2-CD1 3.35Å
359W58.7Low58.4Low81 Ų8190.6 Ų90.631%0.30745%0.447SS..G310 helixtrans-69.8-16.417559.7-93.6000113.9Q356 H357 F364 M365 I379Q356-W359 PolarHBondContact O-NE1 3.32Å; H357-W359 PolarHBondContact O-N 2.9Å; H357-W359 VanDerWaalsContact O-N 3.12Å; W359-F364 HydrophobicContact CB-CD1 4.17Å; W359-F364 HydrophobicContact CB-CE1 4.03Å; W359-M365 WeakPolarHBondContact O-CE 3.48Å; W359-I379 HydrophobicContact CB-CG1 4.25Å; W359-I379 HydrophobicContact CD2-CD1 4.34Å; W359-I379 HydrophobicContact CD2-CG1 4.48Å; W359-I379 HydrophobicContact CD2-CG2 4.43Å; W359-I379 HydrophobicContact CE3-CD1 3.59Å; W359-I379 HydrophobicContact CE3-CG1 4.18Å; W359-I379 HydrophobicContact CZ3-CD1 4.05Å
360K63.3Low59.4Low112 Ų11288.4 Ų88.449%0.48745%0.447SS..G310 helixtrans-86.8-6.7168.3-60.4-177.3179.5175.80112.6H357 W358H357-K360 HydrophobicContact CB-CB 4.47Å; H357-K360 HydrophobicContact CB-CD 4.23Å; H357-K360 HydrophobicContact CB-CG 4.49Å; H357-K360 WeakPolarHBondContact O-CA 3.25Å; H357-K360 VanDerWaalsContact O-CB 3.31Å; H357-K360 WeakPolarHBondContact O-CB 3.4Å; H357-K360 PolarHBondContact O-N 3.49Å; W358-K360 PolarHBondContact O-N 3.43Å
361S63.5Low60.9Low39 Ų3984.8 Ų84.827%0.27344%0.438SS..  trans-59.1129.8178.9179.50000109.7H357 W358 I363 F364 M365H357-S361 PolarHBondContact O-N 2.91Å; W358-S361 WeakPolarHBondContact O-CB 3.26Å; W358-S361 PolarHBondContact O-N 3.14Å; S361-I363 PolarHBondContact O-N 2.95Å; S361-I363 VanDerWaalsContact O-N 3.13Å; S361-I363 PolarHBondContact OG-N 3.18Å; S361-F364 PolarHBondContact O-N 2.91Å; S361-M365 PolarHBondContact O-N 3.47Å
362P63.6Low62.2Low98 Ų9888.7 Ų88.764%0.63646%0.46SS*.Hα-helixtrans-52.4-36.2174.7-2734.3000112.1F364 M365 T366P362-F364 PolarHBondContact O-N 3.12Å; P362-M365 PolarHBondContact O-N 2.93Å; P362-T366 WeakPolarHBondContact O-CB 2.93Å; P362-T366 PolarHBondContact O-N 3.29Å; P362-T366 PolarHBondContact O-OG1 3.43Å
363I68.9Low63.6Low138 Ų13887.9 Ų87.971%0.70845%0.453SS*.Hα-helixtrans-63.3-44.6179.7-60.3168.7000111S361 T366 Y367S361-I363 PolarHBondContact O-N 2.95Å; S361-I363 VanDerWaalsContact O-N 3.13Å; S361-I363 PolarHBondContact OG-N 3.18Å; I363-T366 PolarHBondContact O-N 3.3Å; I363-Y367 WeakPolarHBondContact O-CB 3.5Å; I363-Y367 PolarHBondContact O-N 3.09Å
364F71.5Confident64.7Low27 Ų2785.1 Ų85.112%0.11844%0.443CS..Hα-helixtrans-68.1-40.8177.9-178.9-110.3000111.3W358 W359 S361 P362 T366 Y367 L368 F382W358-F364 HydrophobicContact CE3-CD1 4.4Å; W358-F364 HydrophobicContact CE3-CD2 4.16Å; W358-F364 HydrophobicContact CE3-CE1 4.5Å; W358-F364 HydrophobicContact CE3-CE2 4.34Å; W358-F364 HydrophobicContact CE3-CG 4.19Å; W358-F364 HydrophobicContact CE3-CZ 4.47Å; W358-F364 HydrophobicContact CH2-CE1 4.26Å; W358-F364 HydrophobicContact CH2-CE2 4.07Å; W358-F364 AromaticContact CH2-CZ 3.79Å; W358-F364 HydrophobicContact CH2-CZ 3.79Å; W358-F364 HydrophobicContact CZ3-CD1 4.13Å; W358-F364 AromaticContact CZ3-CD2 3.64Å; W358-F364 HydrophobicContact CZ3-CD2 3.64Å; W358-F364 AromaticContact CZ3-CE1 3.84Å; W358-F364 HydrophobicContact CZ3-CE1 3.84Å; W358-F364 AromaticContact CZ3-CE2 3.39Å; W358-F364 HydrophobicContact CZ3-CE2 3.39Å; W358-F364 AromaticContact CZ3-CG 3.99Å; W358-F364 HydrophobicContact CZ3-CG 3.99Å; W358-F364 AromaticContact CZ3-CZ 3.46Å; W358-F364 HydrophobicContact CZ3-CZ 3.46Å; W358-F364 VanDerWaalsContact CZ3-CZ 3.46Å; W359-F364 HydrophobicContact CB-CD1 4.17Å; W359-F364 HydrophobicContact CB-CE1 4.03Å; S361-F364 PolarHBondContact O-N 2.91Å; P362-F364 PolarHBondContact O-N 3.12Å; F364-T366 PolarHBondContact O-N 3.44Å; F364-Y367 WeakPolarHBondContact O-CB 3.25Å; F364-Y367 PolarHBondContact O-N 3.32Å; F364-L368 HydrophobicContact CD1-CD1 3.87Å; F364-L368 HydrophobicContact CD1-CG 4.29Å; F364-L368 HydrophobicContact CD2-CG 4.46Å; F364-L368 HydrophobicContact CE1-CD1 3.29Å; F364-L368 HydrophobicContact CE1-CG 3.95Å; F364-L368 HydrophobicContact CE2-CD1 4.25Å; F364-L368 HydrophobicContact CE2-CD2 4.11Å; F364-L368 HydrophobicContact CE2-CG 4.06Å; F364-L368 HydrophobicContact CZ-CD1 3.51Å; F364-L368 HydrophobicContact CZ-CD2 3.96Å; F364-L368 HydrophobicContact CZ-CG 3.82Å; F364-L368 WeakPolarHBondContact O-CG 3.41Å; F364-L368 PolarHBondContact O-N 3.48Å; F364-F382 AromaticContact CZ-CD2 3.98Å; F364-F382 HydrophobicContact CZ-CD2 3.98Å; F364-F382 HydrophobicContact CZ-CE2 4.23Å; F364-F382 HydrophobicContact CZ-CG 4.46Å
365M65.6Low65.3Low53 Ų5382.2 Ų82.226%0.26143%0.429SS..Hα-helixtrans-61.7-42.8174.7-71.5-63.6-166.600112.2W359 S361 P362 L368 N369 P375W359-M365 WeakPolarHBondContact O-CE 3.48Å; S361-M365 PolarHBondContact O-N 3.47Å; P362-M365 PolarHBondContact O-N 2.93Å; M365-L368 PolarHBondContact O-N 3.35Å; M365-N369 WeakPolarHBondContact O-CB 3.47Å; M365-N369 PolarHBondContact O-N 2.91Å; M365-N369 PolarHBondContact O-ND2 3.43Å; M365-P375 HydrophobicContact CE-CB 3.96Å; M365-P375 HydrophobicContact CE-CG 4.42Å; M365-P375 HydrophobicContact SD-CB 3.34Å; M365-P375 WeakPolarHBondContact SD-CB 3.25Å; M365-P375 HydrophobicContact SD-CG 3.69Å
366T68.4Low66.1Low92 Ų9284.4 Ų84.456%0.56444%0.435SS*.Hα-helixtrans-63.6-41.7175.1-54.90000111.5P362 I363 F364 N369 A370P362-T366 WeakPolarHBondContact O-CB 2.93Å; P362-T366 PolarHBondContact O-N 3.29Å; P362-T366 PolarHBondContact O-OG1 3.43Å; I363-T366 PolarHBondContact O-N 3.3Å; F364-T366 PolarHBondContact O-N 3.44Å; T366-N369 PolarHBondContact O-N 2.95Å; T366-A370 WeakPolarHBondContact O-CB 3.31Å; T366-A370 PolarHBondContact O-N 2.94Å
367Y73.7Confident66.6Low132 Ų13285.3 Ų85.352%0.51844%0.439SS..Hα-helixtrans-60.3-48.5175.1174.6-101.8000111.7I363 F364 N369 A370 I371I363-Y367 WeakPolarHBondContact O-CB 3.5Å; I363-Y367 PolarHBondContact O-N 3.09Å; F364-Y367 WeakPolarHBondContact O-CB 3.25Å; F364-Y367 PolarHBondContact O-N 3.32Å; Y367-N369 PolarHBondContact O-N 2.86Å; Y367-A370 WeakPolarHBondContact O-CB 3.38Å; Y367-A370 PolarHBondContact O-N 3Å; Y367-A370 VanDerWaalsContact O-N 3.14Å; Y367-I371 HydrophobicContact CD1-CD1 4.43Å; Y367-I371 HydrophobicContact CE1-CD1 3.9Å; Y367-I371 HydrophobicContact CE2-CG2 4.31Å; Y367-I371 WeakPolarHBondContact O-CG1 3.02Å; Y367-I371 PolarHBondContact O-N 3.36Å; Y367-I371 VanDerWaalsContact O-N 3.09Å
368L69.8Low66.8Low0 Ų081.6 Ų81.60%042%0.423CS..Hα-helixtrans-62.1-42.2178.1-71.3-172.6000112.5F364 M365 A370 I371 N372 V373 P375 A378 F382F364-L368 HydrophobicContact CD1-CD1 3.87Å; F364-L368 HydrophobicContact CD1-CG 4.29Å; F364-L368 HydrophobicContact CD2-CG 4.46Å; F364-L368 HydrophobicContact CE1-CD1 3.29Å; F364-L368 HydrophobicContact CE1-CG 3.95Å; F364-L368 HydrophobicContact CE2-CD1 4.25Å; F364-L368 HydrophobicContact CE2-CD2 4.11Å; F364-L368 HydrophobicContact CE2-CG 4.06Å; F364-L368 HydrophobicContact CZ-CD1 3.51Å; F364-L368 HydrophobicContact CZ-CD2 3.96Å; F364-L368 HydrophobicContact CZ-CG 3.82Å; F364-L368 WeakPolarHBondContact O-CG 3.41Å; F364-L368 PolarHBondContact O-N 3.48Å; M365-L368 PolarHBondContact O-N 3.35Å; L368-A370 VanDerWaalsContact C-N 3.3Å; L368-A370 PolarHBondContact O-N 2.72Å; L368-I371 HydrophobicContact CD2-CD1 3.93Å; L368-I371 HydrophobicContact CD2-CG1 4.48Å; L368-I371 VanDerWaalsContact O-CG1 3.25Å; L368-I371 WeakPolarHBondContact O-CG1 3.4Å; L368-I371 PolarHBondContact O-N 3.04Å; L368-N372 PolarHBondContact O-N 3.3Å; L368-V373 CarbonylContact C-O 3.59Å; L368-V373 HydrophobicContact CD2-CB 4.34Å; L368-V373 HydrophobicContact CD2-CG1 4.33Å; L368-V373 PolarHBondContact O-N 2.96Å; L368-P375 HydrophobicContact CD1-CB 3.8Å; L368-A378 HydrophobicContact CD1-CB 3.88Å; L368-A378 HydrophobicContact CD2-CB 4.18Å; L368-F382 HydrophobicContact CD2-CE2 3.91Å
369N68.5Low66.8Low106 Ų10680 Ų8057%0.56742%0.42SS*.Hα-helixtrans-62.2-38.3174.1-72.5-18.4000111.8M365 T366 Y367 I371 N372M365-N369 WeakPolarHBondContact O-CB 3.47Å; M365-N369 PolarHBondContact O-N 2.91Å; M365-N369 PolarHBondContact O-ND2 3.43Å; T366-N369 PolarHBondContact O-N 2.95Å; Y367-N369 PolarHBondContact O-N 2.86Å; N369-I371 VanDerWaalsContact C-N 3.35Å; N369-I371 PolarHBondContact O-N 3.07Å; N369-N372 PolarHBondContact O-N 3.22Å; N369-N372 VanDerWaalsContact O-N 3.12Å
370A71.2Confident66.6Low84 Ų8480.1 Ų80.169%0.69443%0.431SS*.Hα-helixtrans-66.6-34.2178.400000112.9T366 Y367 L368 N372T366-A370 WeakPolarHBondContact O-CB 3.31Å; T366-A370 PolarHBondContact O-N 2.94Å; Y367-A370 WeakPolarHBondContact O-CB 3.38Å; Y367-A370 PolarHBondContact O-N 3Å; Y367-A370 VanDerWaalsContact O-N 3.14Å; L368-A370 VanDerWaalsContact C-N 3.3Å; L368-A370 PolarHBondContact O-N 2.72Å; A370-N372 VanDerWaalsContact C-N 3.26Å
371I74.8Confident66.3Low76 Ų7677.1 Ų77.139%0.3943%0.427SS..THydrogen-bonded Turntrans-86.98173.763.1169.9000113.2Y367 L368 N369 V373Y367-I371 HydrophobicContact CD1-CD1 4.43Å; Y367-I371 HydrophobicContact CE1-CD1 3.9Å; Y367-I371 HydrophobicContact CE2-CG2 4.31Å; Y367-I371 WeakPolarHBondContact O-CG1 3.02Å; Y367-I371 PolarHBondContact O-N 3.36Å; Y367-I371 VanDerWaalsContact O-N 3.09Å; L368-I371 HydrophobicContact CD2-CD1 3.93Å; L368-I371 HydrophobicContact CD2-CG1 4.48Å; L368-I371 VanDerWaalsContact O-CG1 3.25Å; L368-I371 WeakPolarHBondContact O-CG1 3.4Å; L368-I371 PolarHBondContact O-N 3.04Å; N369-I371 VanDerWaalsContact C-N 3.35Å; N369-I371 PolarHBondContact O-N 3.07Å; I371-V373 HydrophobicContact CB-CG2 4.44Å; I371-V373 HydrophobicContact CD1-CB 4.01Å; I371-V373 HydrophobicContact CD1-CG2 3.57Å; I371-V373 HydrophobicContact CG1-CB 3.92Å; I371-V373 HydrophobicContact CG1-CG2 3.66Å; I371-V373 PolarHBondContact O-N 3.11Å
372N71.8Confident66Low151 Ų15178.6 Ų78.681%0.80743%0.429SS*.THydrogen-bonded Turntrans54.434.8-177.9-164.349.1000113.4L368 N369 A370L368-N372 PolarHBondContact O-N 3.3Å; N369-N372 PolarHBondContact O-N 3.22Å; N369-N372 VanDerWaalsContact O-N 3.12Å; A370-N372 VanDerWaalsContact C-N 3.26Å
373V72.4Confident65.6Low54 Ų5476.2 Ų76.233%0.32742%0.418SS..  trans-100.5122.5174.3175.20000108.1L368 I371 P375 A378L368-V373 CarbonylContact C-O 3.59Å; L368-V373 HydrophobicContact CD2-CB 4.34Å; L368-V373 HydrophobicContact CD2-CG1 4.33Å; L368-V373 PolarHBondContact O-N 2.96Å; I371-V373 HydrophobicContact CB-CG2 4.44Å; I371-V373 HydrophobicContact CD1-CB 4.01Å; I371-V373 HydrophobicContact CD1-CG2 3.57Å; I371-V373 HydrophobicContact CG1-CB 3.92Å; I371-V373 HydrophobicContact CG1-CG2 3.66Å; I371-V373 PolarHBondContact O-N 3.11Å; V373-P375 VanDerWaalsContact O-CD 3.32Å; V373-P375 WeakPolarHBondContact O-CD 3.47Å; V373-A378 HydrophobicContact CG1-CB 3.45Å; V373-A378 VanDerWaalsContact CG1-CB 3.45Å
374N68.2Low64.9Low74 Ų7472.5 Ų72.540%0.39640%0.404SS..  trans-64120.1174.6-178-12.8000109Q376 H377 A378N374-Q376 PolarHBondContact O-N 3.11Å; N374-Q376 VanDerWaalsContact O-N 3.16Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.38Å; N374-Q376 PolarHBondContact OD1-N 3.37Å; N374-H377 PolarHBondContact O-N 3.12Å; N374-A378 PolarHBondContact O-N 3.17Å; N374-A378 VanDerWaalsContact O-N 3.07Å
375P62.3Low63.8Low19 Ų1976.4 Ų76.412%0.12342%0.422CS..Hα-helixtrans-56.2-33.8-179.720.3-31.5000113.2M365 L368 V373 H377 A378 I379M365-P375 HydrophobicContact CE-CB 3.96Å; M365-P375 HydrophobicContact CE-CG 4.42Å; M365-P375 HydrophobicContact SD-CB 3.34Å; M365-P375 WeakPolarHBondContact SD-CB 3.25Å; M365-P375 HydrophobicContact SD-CG 3.69Å; L368-P375 HydrophobicContact CD1-CB 3.8Å; V373-P375 VanDerWaalsContact O-CD 3.32Å; V373-P375 WeakPolarHBondContact O-CD 3.47Å; P375-H377 VanDerWaalsContact C-N 3.26Å; P375-H377 PolarHBondContact O-N 3.23Å; P375-A378 PolarHBondContact O-N 3.27Å; P375-I379 WeakPolarHBondContact O-CD1 3.33Å; P375-I379 WeakPolarHBondContact O-CG1 3.42Å; P375-I379 PolarHBondContact O-N 3.07Å; P375-I379 VanDerWaalsContact O-N 3.07Å
376Q65.1Low63.2Low151 Ų15177.8 Ų77.871%0.70643%0.431SS*.Hα-helixtrans-62.4-31.2179.1-62.5-178.3-6.400113.3N374N374-Q376 PolarHBondContact O-N 3.11Å; N374-Q376 VanDerWaalsContact O-N 3.16Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.38Å; N374-Q376 PolarHBondContact OD1-N 3.37Å
377H63.1Low62.5Low146 Ų14682.5 Ų82.568%0.67644%0.438SS*.Hα-helixtrans-92.1-25.8177.5-64.4-56.7000113N374 P375N374-H377 PolarHBondContact O-N 3.12Å; P375-H377 VanDerWaalsContact C-N 3.26Å; P375-H377 PolarHBondContact O-N 3.23Å
378A59.8Low61.4Low6 Ų683.2 Ų83.25%0.0545%0.45CS..Hα-helixtrans-74.2-37.617900000112.5L368 V373 N374 P375 A381 F382L368-A378 HydrophobicContact CD1-CB 3.88Å; L368-A378 HydrophobicContact CD2-CB 4.18Å; V373-A378 HydrophobicContact CG1-CB 3.45Å; V373-A378 VanDerWaalsContact CG1-CB 3.45Å; N374-A378 PolarHBondContact O-N 3.17Å; N374-A378 VanDerWaalsContact O-N 3.07Å; P375-A378 PolarHBondContact O-N 3.27Å; A378-A381 PolarHBondContact O-N 3.37Å; A378-F382 HydrophobicContact CB-CD2 3.85Å; A378-F382 HydrophobicContact CB-CE2 3.84Å; A378-F382 VanDerWaalsContact O-CD2 3.27Å; A378-F382 WeakPolarHBondContact O-CD2 3.2Å; A378-F382 PolarHBondContact O-N 3.38Å
379I58.2Low60.2Low41 Ų4189.7 Ų89.721%0.2148%0.484CS..Hα-helixtrans-53.6-48.5-174.1-70.2157.1000112.2W359 P375 A381 A383W359-I379 HydrophobicContact CB-CG1 4.25Å; W359-I379 HydrophobicContact CD2-CD1 4.34Å; W359-I379 HydrophobicContact CD2-CG1 4.48Å; W359-I379 HydrophobicContact CD2-CG2 4.43Å; W359-I379 HydrophobicContact CE3-CD1 3.59Å; W359-I379 HydrophobicContact CE3-CG1 4.18Å; W359-I379 HydrophobicContact CZ3-CD1 4.05Å; P375-I379 WeakPolarHBondContact O-CD1 3.33Å; P375-I379 WeakPolarHBondContact O-CG1 3.42Å; P375-I379 PolarHBondContact O-N 3.07Å; P375-I379 VanDerWaalsContact O-N 3.07Å; I379-A381 VanDerWaalsContact C-N 3.35Å; I379-A381 PolarHBondContact O-N 3.45Å; I379-A383 WeakPolarHBondContact O-CB 3.47Å; I379-A383 PolarHBondContact O-N 3.23Å
380P56.1Low59.3Low84 Ų8490.5 Ų90.555%0.54548%0.484SS..Hα-helixtrans-63.8-36.3177.1-23.234.6000113.8S384P380-S384 WeakPolarHBondContact O-CB 3.49Å; P380-S384 PolarHBondContact O-N 3.21Å; P380-S384 PolarHBondContact O-OG 2.76Å
381A56.4Low58Low48 Ų4891.5 Ų91.540%0.39748%0.483SS..Hα-helixtrans-71-42.2-179.100000111.9A378 I379 S384 Q385A378-A381 PolarHBondContact O-N 3.37Å; I379-A381 VanDerWaalsContact C-N 3.35Å; I379-A381 PolarHBondContact O-N 3.45Å; A381-S384 PolarHBondContact O-OG 3.39Å; A381-Q385 VanDerWaalsContact O-CG 3.29Å; A381-Q385 WeakPolarHBondContact O-CG 3.47Å; A381-Q385 PolarHBondContact O-N 3.16Å; A381-Q385 VanDerWaalsContact O-N 3.13Å
382F57.8Low56.5Low70 Ų7093.7 Ų93.731%0.30750%0.5SS..Hα-helixtrans-70.7-39.8174.4-75.9-70.6000112W358 F364 L368 A378 S384 Q385 L386W358-F382 HydrophobicContact CH2-CB 3.98Å; W358-F382 HydrophobicContact CH2-CG 4.46Å; W358-F382 HydrophobicContact CZ2-CB 4.43Å; F364-F382 AromaticContact CZ-CD2 3.98Å; F364-F382 HydrophobicContact CZ-CD2 3.98Å; F364-F382 HydrophobicContact CZ-CE2 4.23Å; F364-F382 HydrophobicContact CZ-CG 4.46Å; L368-F382 HydrophobicContact CD2-CE2 3.91Å; A378-F382 HydrophobicContact CB-CD2 3.85Å; A378-F382 HydrophobicContact CB-CE2 3.84Å; A378-F382 VanDerWaalsContact O-CD2 3.27Å; A378-F382 WeakPolarHBondContact O-CD2 3.2Å; A378-F382 PolarHBondContact O-N 3.38Å; F382-S384 VanDerWaalsContact C-N 3.33Å; F382-S384 PolarHBondContact O-N 3.39Å; F382-Q385 PolarHBondContact O-N 3.5Å; F382-L386 WeakPolarHBondContact O-CB 3.45Å; F382-L386 WeakPolarHBondContact O-CG 3.41Å; F382-L386 PolarHBondContact O-N 3.4Å
383A55.1Low54.9Low49 Ų4996.6 Ų96.641%0.40550%0.5SS..Hα-helixtrans-63.9-37.4176.300000112.1I379 R387I379-A383 WeakPolarHBondContact O-CB 3.47Å; I379-A383 PolarHBondContact O-N 3.23Å; A383-R387 WeakPolarHBondContact O-CB 3.47Å; A383-R387 PolarHBondContact O-N 2.9Å
384S52.6Low53.4Low60 Ų60101 Ų10142%0.4252%0.521SS..Hα-helixtrans-68.1-41.4175.372.60000111.8P380 A381 F382 R387 L388P380-S384 WeakPolarHBondContact O-CB 3.49Å; P380-S384 PolarHBondContact O-N 3.21Å; P380-S384 PolarHBondContact O-OG 2.76Å; A381-S384 PolarHBondContact O-OG 3.39Å; F382-S384 VanDerWaalsContact C-N 3.33Å; F382-S384 PolarHBondContact O-N 3.39Å; S384-R387 PolarHBondContact O-N 2.81Å; S384-L388 WeakPolarHBondContact O-CG 3.29Å; S384-L388 PolarHBondContact O-N 2.89Å
385Q49.4Very low51.9Low108 Ų108104.3 Ų104.351%0.50554%0.538SS..Hα-helixtrans-65.4-40.5175.8-72.5175.4-0.200112.5A381 F382 L388 L389A381-Q385 VanDerWaalsContact O-CG 3.29Å; A381-Q385 WeakPolarHBondContact O-CG 3.47Å; A381-Q385 PolarHBondContact O-N 3.16Å; A381-Q385 VanDerWaalsContact O-N 3.13Å; F382-Q385 PolarHBondContact O-N 3.5Å; Q385-L388 WeakPolarHBondContact O-CB 3.36Å; Q385-L388 PolarHBondContact O-N 2.83Å; Q385-L389 PolarHBondContact O-N 3.42Å
386L52.9Low50.5Low83 Ų83108.8 Ų108.844%0.43557%0.57SS.*Hα-helixtrans-68.4-34.5174.1-72.9175.7000112.1W358 F382 L388 L389 E390W358-L386 HydrophobicContact CH2-CD1 4.12Å; W358-L386 HydrophobicContact CZ2-CD1 3.35Å; F382-L386 WeakPolarHBondContact O-CB 3.45Å; F382-L386 WeakPolarHBondContact O-CG 3.41Å; F382-L386 PolarHBondContact O-N 3.4Å; L386-L388 VanDerWaalsContact C-N 3.26Å; L386-L388 PolarHBondContact O-N 3.15Å; L386-L389 HydrophobicContact CD2-CD1 4.4Å; L386-L389 CarbonylContact O-C 3.46Å; L386-L389 WeakPolarHBondContact O-CA 3.26Å; L386-L389 PolarHBondContact O-N 3.04Å; L386-E390 PolarHBondContact O-N 3.28Å
387R53.3Low49.2Very low191 Ų191110.1 Ų110.172%0.72158%0.577SS**Hα-helixtrans-63.7-32172.9-175.8178.3-78.4152.8-4.9112.1A383 S384 L389 E390A383-R387 WeakPolarHBondContact O-CB 3.47Å; A383-R387 PolarHBondContact O-N 2.9Å; S384-R387 PolarHBondContact O-N 2.81Å; R387-L389 VanDerWaalsContact C-N 3.27Å; R387-E390 PolarHBondContact O-N 3.42Å
388L51.6Low47.9Very low147 Ų147110.8 Ų110.877%0.7759%0.585SS**Hα-helixtrans-69.3-26.4171.8-67.3171.2000112.7S384 Q385 L386S384-L388 WeakPolarHBondContact O-CG 3.29Å; S384-L388 PolarHBondContact O-N 2.89Å; Q385-L388 WeakPolarHBondContact O-CB 3.36Å; Q385-L388 PolarHBondContact O-N 2.83Å; L386-L388 VanDerWaalsContact C-N 3.26Å; L386-L388 PolarHBondContact O-N 3.15Å
389L42.7Very low46.7Very low136 Ų136117.4 Ų117.471%0.71262%0.619SS**Hα-helixtrans-90.2-13176.2-65.5173.8000113.1Q385 L386 R387 P391Q385-L389 PolarHBondContact O-N 3.42Å; L386-L389 HydrophobicContact CD2-CD1 4.4Å; L386-L389 CarbonylContact O-C 3.46Å; L386-L389 WeakPolarHBondContact O-CA 3.26Å; L386-L389 PolarHBondContact O-N 3.04Å; R387-L389 VanDerWaalsContact C-N 3.27Å; L389-P391 WeakPolarHBondContact O-CD 3.43Å
390E51.5Low45.5Very low122 Ų122122.8 Ų122.857%0.5764%0.643SS**SBendtrans-62.3122170.7-169.9173.3-171.500107.2L386 R387 V392L386-E390 PolarHBondContact O-N 3.28Å; R387-E390 PolarHBondContact O-N 3.42Å; E390-V392 PolarHBondContact O-N 2.93Å
391P43.2Very low44.3Very low105 Ų105128.1 Ų128.168%0.68266%0.658SS**  trans-57.2114.4175.6-18.729.1000107L389 R393L389-P391 WeakPolarHBondContact O-CD 3.43Å; P391-R393 VanDerWaalsContact C-N 3.32Å; P391-R393 PolarHBondContact O-N 3.27Å
392V43.1Very low43Very low123 Ų123133.2 Ų133.275%0.74568%0.678SS**  trans-53.5108.4166.2176.30000104.5E390 L394E390-V392 PolarHBondContact O-N 2.93Å; V392-L394 HydrophobicContact CG1-CD2 4.46Å; V392-L394 PolarHBondContact O-N 3.28Å
393R39Very low41.7Very low211 Ų211136.5 Ų136.580%0.79670%0.697SS**  trans-65.194.7170.8-68.2-145.7172.5103.22.2104.8P391 N395P391-R393 VanDerWaalsContact C-N 3.32Å; P391-R393 PolarHBondContact O-N 3.27Å; R393-N395 PolarHBondContact O-N 2.87Å
394L39.1Very low40.3Very low147 Ų147139.8 Ų139.877%0.7771%0.712SS**  trans-55.9101.3158.6-64.3178.4000103.1V392 S396V392-L394 HydrophobicContact CG1-CD2 4.46Å; V392-L394 PolarHBondContact O-N 3.28Å; L394-S396 PolarHBondContact O-N 3.34Å
395N38.5Very low39.3Very low143 Ų143142.8 Ų142.877%0.76572%0.723SS**  trans-48.6114.2179.5-82.4-21.7000105.6R393 Q397R393-N395 PolarHBondContact O-N 2.87Å; N395-Q397 PolarHBondContact O-N 3.46Å
396S32.1Very low38.2Very low113 Ų113144.4 Ų144.479%0.7974%0.735SS**  trans-59.688.1157.9-36.60000102.9L394 D398L394-S396 PolarHBondContact O-N 3.34Å; S396-D398 PolarHBondContact O-N 3.13Å
397Q38.4Very low37Very low180 Ų180146.9 Ų146.984%0.84175%0.749SS**  trans-45.5121.6170.4-117.2177.2-9.100104.8N395 L399N395-Q397 PolarHBondContact O-N 3.46Å; Q397-L399 PolarHBondContact O-N 3.39Å
398D35.8Very low35.9Very low159 Ų159143 Ų14385%0.8575%0.751SS**  trans-5085.8179.5-71.6-62.5000109.9S396 H400S396-D398 PolarHBondContact O-N 3.13Å; D398-H400 PolarHBondContact O-N 3.44Å
399L34Very low34.6Very low145 Ų145141 Ų14176%0.75975%0.75SS**  trans-62.9121.2153.1-145.679.4000103.1Q397Q397-L399 PolarHBondContact O-N 3.39Å
400H32.4Very low33.8Very low154 Ų154140.8 Ų140.871%0.71375%0.754SS**  trans101.480.9-179.8-47.7-60.8000116D398D398-H400 PolarHBondContact O-N 3.44Å
401K31.5Very low32.7Very low197 Ų197140 Ų14086%0.85776%0.762SS**  176.3126.685.9-92.5161.2-174177.40112.9I403K401-I403 PolarHBondContact O-N 2.69Å
402N30.1Very low31.9Very low155 Ų155143 Ų14383%0.82977%0.767SS**  trans-1.2105158.8-87.8-18.3000116.7T404N402-T404 PolarHBondContact O-N 3.17Å
403I29Very low30.9Very low139 Ų139145.5 Ų145.571%0.71377%0.77SS**  trans-44.1105.1145.5-62.6168.1000108.6K401 L405K401-I403 PolarHBondContact O-N 2.69Å; I403-L405 HydrophobicContact CG2-CB 3.92Å; I403-L405 HydrophobicContact CG2-CD1 3.37Å; I403-L405 HydrophobicContact CG2-CG 3.49Å; I403-L405 VanDerWaalsContact CG2-CG 3.49Å
404T26Very low30.4Very low117 Ų117141.2 Ų141.272%0.71876%0.764SS**  trans-99.984.2153.9-53.10000106N402 N406N402-T404 PolarHBondContact O-N 3.17Å; T404-N406 VanDerWaalsContact C-N 3.29Å; T404-N406 PolarHBondContact O-N 3.13Å
405L31.1Very low29.8Very low124 Ų124142.1 Ų142.165%0.64976%0.764SS**  trans-69.488168.3-94.5155.6000107.8I403 N407I403-L405 HydrophobicContact CG2-CB 3.92Å; I403-L405 HydrophobicContact CG2-CD1 3.37Å; I403-L405 HydrophobicContact CG2-CG 3.49Å; I403-L405 VanDerWaalsContact CG2-CG 3.49Å; L405-N407 VanDerWaalsContact C-N 3.27Å; L405-N407 WeakPolarHBondContact CD2-OD1 3.27Å; L405-N407 PolarHBondContact O-N 3.36Å
406N27.6Very low29Very low141 Ų141139.2 Ų139.275%0.75476%0.759SS**  trans-80.590.5154.4-86.2-3.4000107.3T404 S408T404-N406 VanDerWaalsContact C-N 3.29Å; T404-N406 PolarHBondContact O-N 3.13Å; N406-S408 PolarHBondContact O-N 3.04Å; N406-S408 VanDerWaalsContact O-N 3.13Å
407N26.7Very low28.7Very low135 Ų135141.1 Ų141.172%0.72276%0.761SS**  trans-58.5105.6162.3-69.9-22.7000108.8L405L405-N407 VanDerWaalsContact C-N 3.27Å; L405-N407 WeakPolarHBondContact CD2-OD1 3.27Å; L405-N407 PolarHBondContact O-N 3.36Å
408S30.6Very low28.2Very low111 Ų111138.9 Ų138.978%0.77676%0.759SS**  trans-128.597.815640.30000108.4N406N406-S408 PolarHBondContact O-N 3.04Å; N406-S408 VanDerWaalsContact O-N 3.13Å
409S24.7Very low27.7Very low105 Ų105138.7 Ų138.773%0.73476%0.757SS**  trans-38.7138.2161.4-44.90000112.5
410T26.4Very low27.1Very low131 Ų131139 Ų13980%0.80476%0.759SS**  176.4116.8113.721.90000111.6
411S26.7Very low26.9Very low106 Ų106137.9 Ų137.974%0.74177%0.765SS**  trans10.1120.9138.456.20000118.9
412Q26.3Very low26.6Very low167 Ų167134.3 Ų134.378%0.7876%0.76SS**  trans-151.692.4130.2-125.6-171.7-300110.9N414Q412-N414 VanDerWaalsContact CD-ND2 3.32Å; Q412-N414 PolarHBondContact NE2-ND2 3.49Å
413E22.8Very low26.4Very low175 Ų175134.4 Ų134.482%0.81876%0.76SS**  trans-72.1111.2157.6-163.6175.7-16000106.1
414N28.4Very low26.4Very low122 Ų122136 Ų13665%0.65277%0.765SS**  trans-127.4117.7170-90.6-34.3000109.9Q412Q412-N414 VanDerWaalsContact CD-ND2 3.32Å; Q412-N414 PolarHBondContact NE2-ND2 3.49Å
415H26Very low26.5Very low166 Ų166135.9 Ų135.977%0.76977%0.769SS**  trans-49149.5178-65.3-90.4000116.5
416A23.2Very low26.4Very low81 Ų81136.8 Ų136.867%0.66977%0.774SS**  trans69.2116.4134.300000120
417N26Very low26.3Very low154 Ų154138.1 Ų138.182%0.82478%0.781SS**  trans53.2115.4137.1-56.9-24.4000117.8
418V27.3Very low26.3Very low132 Ų132141.6 Ų141.680%0.878%0.784SS**  173.5126.6125149.80000110.9
419L24.3Very low26.1Very low155 Ų155141.2 Ų141.281%0.81278%0.782SS**  trans58.6134.7155.4-90.784.1000121.9
420L21.1Very low26.4Very low152 Ų152141.5 Ų141.580%0.79678%0.781SS**  trans-36.7137.8167.3-79.873.6000113.3T422L420-T422 PolarHBondContact O-N 3.27Å
421P29.5Very low26.4Very low130 Ų130139.3 Ų139.384%0.84477%0.771SS**  trans-68.3112.6156.9-925.9000108.7
422T25.3Very low26.4Very low123 Ų123141.6 Ų141.676%0.75578%0.775SS**  trans-60.2146.3159.9-57.60000109.9L420 E424L420-T422 PolarHBondContact O-N 3.27Å; T422-E424 PolarHBondContact O-N 3.49Å
423D24.8Very low26.5Very low157 Ų157137.6 Ų137.684%0.8477%0.766SS**  trans-33.4109.7171.9-64.2-55.8000114.1
424E28.8Very low26.7Very low172 Ų172136 Ų13680%0.80476%0.762SS**  trans-121.2109.7145.7-76.2-153.6161.800108.5T422 N426T422-E424 PolarHBondContact O-N 3.49Å; E424-N426 VanDerWaalsContact C-N 3.33Å; E424-N426 PolarHBondContact O-N 3.07Å
425S28.7Very low26.7Very low115 Ų115135.8 Ų135.880%0.80477%0.765SS**  trans-59.885.2171.9430000111.3N427S425-N427 PolarHBondContact O-N 3.34Å
426N29.3Very low26.9Very low142 Ų142135.9 Ų135.976%0.75976%0.763SS**  trans-89.196.3160.5-85.1-42.2000109.6E424 R428E424-N426 VanDerWaalsContact C-N 3.33Å; E424-N426 PolarHBondContact O-N 3.07Å; N426-R428 PolarHBondContact O-N 2.74Å
427N26.1Very low27.1Very low169 Ų169137.3 Ų137.390%0.90477%0.768SS**  trans-51.989.4156.4-78.4-24000109.6S425S425-N427 PolarHBondContact O-N 3.34Å
428R25.3Very low27.2Very low208 Ų208136 Ų13679%0.78577%0.767SS**  trans-149.2105.6160.4-165.1171-176.1-173.7-0.2107.5N426N426-R428 PolarHBondContact O-N 2.74Å
429S27.4Very low27.1Very low104 Ų104136.5 Ų136.573%0.72777%0.765SS**  trans-44.4137.8169.4-510000109.6S431S429-S431 PolarHBondContact O-N 2.84Å
430P29.7Very low27.3Very low111 Ų111134.8 Ų134.872%0.72176%0.764SS**  trans-60111.9-174.423.7-31.5000108.5N432P430-N432 PolarHBondContact O-N 3.4Å
431S28.1Very low27.7Very low84 Ų84134.2 Ų134.259%0.58776%0.762SS**  trans-60.1120158-690000105.8S429 S433S429-S431 PolarHBondContact O-N 2.84Å; S431-S433 PolarHBondContact O-N 3.3Å
432N26.6Very low27.7Very low155 Ų155135.1 Ų135.183%0.82976%0.76SS**  trans-64.367.2170.8-60.7-22.8000109.2P430P430-N432 PolarHBondContact O-N 3.4Å
433S27.3Very low28Very low83 Ų83135.1 Ų135.158%0.5876%0.76SS**  trans-88.7105.3155.270.40000105.3S431 T435S431-S433 PolarHBondContact O-N 3.3Å; S433-T435 PolarHBondContact O-N 3.01Å
434L28.1Very low28.4Very low142 Ų142135.5 Ų135.574%0.74376%0.762SS**  trans-57.589.4152.1-85.393.7000106.2F436L434-F436 HydrophobicContact CB-CD2 4.47Å; L434-F436 HydrophobicContact CB-CE2 4.41Å; L434-F436 PolarHBondContact O-N 3.14Å
435T27.8Very low28.5Very low116 Ų116131.1 Ų131.171%0.71275%0.75SS**  trans-62.194.1153.933.70000104.6S433 S437S433-T435 PolarHBondContact O-N 3.01Å; T435-S437 VanDerWaalsContact C-N 3.25Å; T435-S437 PolarHBondContact O-N 2.84Å
436F30.9Very low28.7Very low168 Ų168134 Ų13474%0.73775%0.751SS**  trans-53.2104.7156.8-80.3-87.7000105.3L434 T438L434-F436 HydrophobicContact CB-CD2 4.47Å; L434-F436 HydrophobicContact CB-CE2 4.41Å; L434-F436 PolarHBondContact O-N 3.14Å; F436-T438 HydrophobicContact CB-CG2 4.41Å; F436-T438 PolarHBondContact O-N 3.22Å
437S26.9Very low29Very low111 Ų111133.6 Ų133.678%0.77675%0.747SS**  trans-61.883.8160.230.20000106.2T435 N439T435-S437 VanDerWaalsContact C-N 3.25Å; T435-S437 PolarHBondContact O-N 2.84Å; S437-N439 PolarHBondContact O-N 3.26Å
438T28.3Very low29.5Very low128 Ų128131.4 Ų131.479%0.78574%0.736SS**  trans-67.479.7164.947.80000107F436F436-T438 HydrophobicContact CB-CG2 4.41Å; F436-T438 PolarHBondContact O-N 3.22Å
439N25.3Very low30Very low142 Ų142129.4 Ų129.476%0.75974%0.735SS**  trans-122.857.1158.1-143.918.8000107.1S437S437-N439 PolarHBondContact O-N 3.26Å
440C28.5Very low30.6Very low118 Ų118130.8 Ų130.880%0.79773%0.733SS**  trans-109.9101.8163.9-65.30000105.1D442C440-D442 PolarHBondContact O-N 3.26Å
441N29.7Very low31.2Very low141 Ų141132.5 Ų132.575%0.75474%0.735SS**  trans-44.6137.3174-75.7-27.6000110.9T443N441-T443 PolarHBondContact O-N 3.03Å
442D28.3Very low31.6Very low149 Ų149134 Ų13480%0.79774%0.737SS**  trans-42.3100.9172-58.4-62.2000112.3C440C440-D442 PolarHBondContact O-N 3.26Å
443T33.1Very low32.3Very low123 Ų123133.4 Ų133.476%0.75573%0.733SS**  trans-105.1101.8140.948.30000106.6N441 S445N441-T443 PolarHBondContact O-N 3.03Å; T443-S445 PolarHBondContact O-N 3.27Å
444N32.6Very low33.3Very low164 Ų164135 Ų13588%0.87774%0.735SS**  trans-5581.7163.7-82.6-39000109.4
445S31Very low34.6Very low81 Ų81135.9 Ų135.957%0.56673%0.733SS**  trans-118.7108155.252.60000106.5T443 I447T443-S445 PolarHBondContact O-N 3.27Å; S445-I447 VanDerWaalsContact C-N 3.27Å; S445-I447 WeakPolarHBondContact O-CG1 3.43Å; S445-I447 PolarHBondContact O-N 3.35Å
446Q32.4Very low35.5Very low176 Ų176139 Ų13982%0.82274%0.737SS**  trans-59.591.3172.1-161.3168.21700107.1N448Q446-N448 PolarHBondContact O-N 2.86Å
447I36.2Very low35.9Very low132 Ų132137.7 Ų137.768%0.67773%0.733SS**  trans-71.183.7176.5-54.7176000106.5S445 Q449S445-I447 VanDerWaalsContact C-N 3.27Å; S445-I447 WeakPolarHBondContact O-CG1 3.43Å; S445-I447 PolarHBondContact O-N 3.35Å; I447-Q449 HydrophobicContact CG2-CG 3.78Å; I447-Q449 PolarHBondContact O-N 3.27Å
448N36.1Very low36.6Very low123 Ų123137.4 Ų137.466%0.65873%0.727SS**  trans-62.395.5158.7-75.9-30.6000106.4Q446 I450Q446-N448 PolarHBondContact O-N 2.86Å; N448-I450 PolarHBondContact O-N 3.13Å
449Q36.5Very low36.9Very low166 Ų166143.3 Ų143.378%0.77674%0.735SS**  trans-7172.4166.1-64.6-177.97.500108.2I447I447-Q449 HydrophobicContact CG2-CG 3.78Å; I447-Q449 PolarHBondContact O-N 3.27Å
450I38.7Very low37.4Very low134 Ų134144.4 Ų144.469%0.68774%0.735SS**  trans-88.9101.4155.2-63.7168.7000103.5N448 D452N448-I450 PolarHBondContact O-N 3.13Å; I450-D452 PolarHBondContact O-N 2.63Å
451L41.9Very low37.8Very low147 Ų147145 Ų14577%0.7774%0.735SS**  trans-62.7101.8167.4-73.7156.4000106.1L453L451-L453 VanDerWaalsContact C-N 3.28Å; L451-L453 PolarHBondContact O-N 3.31Å
452D37.5Very low37.9Very low116 Ų116146.4 Ų146.462%0.6274%0.738SS**  trans-61.293169.2-92.2-17.5000108I450 D454 F455I450-D452 PolarHBondContact O-N 2.63Å; D452-D454 PolarHBondContact O-N 2.84Å; D452-F455 WeakPolarHBondContact O-CB 3.34Å; D452-F455 PolarHBondContact O-N 3.17Å; D452-F455 VanDerWaalsContact O-N 3.13Å
453L42Very low38.1Very low141 Ų141146.6 Ų146.674%0.73874%0.739SS**G310 helixtrans-63.3-15170.6-70.5166.8000111.3L451 F455 F456L451-L453 VanDerWaalsContact C-N 3.28Å; L451-L453 PolarHBondContact O-N 3.31Å; L453-F455 PolarHBondContact O-N 3.04Å; L453-F456 PolarHBondContact O-N 2.72Å
454D47.5Very low38Very low116 Ų116149.3 Ų149.362%0.6274%0.74SS**G310 helixtrans-67.3-14.1172.3-62.7-3000112.8D452 F456 E457D452-D454 PolarHBondContact O-N 2.84Å; D454-F456 PolarHBondContact O-N 2.83Å; D454-E457 PolarHBondContact O-N 3.13Å
455F56.5Low37.8Very low162 Ų162149.7 Ų149.771%0.71174%0.736SS**G310 helixtrans-62.9-27.8174.8-175.3-98.9000112.6D452 L453D452-F455 WeakPolarHBondContact O-CB 3.34Å; D452-F455 PolarHBondContact O-N 3.17Å; D452-F455 VanDerWaalsContact O-N 3.13Å; L453-F455 PolarHBondContact O-N 3.04Å
456F45.2Very low37.5Very low182 Ų182153.4 Ų153.480%0.79875%0.75SS**THydrogen-bonded Turntrans-97.9-13.1177.6-68.3-76.7000113.5L453 D454 T458L453-F456 PolarHBondContact O-N 2.72Å; D454-F456 PolarHBondContact O-N 2.83Å; F456-T458 PolarHBondContact O-N 3.28Å
457E39Very low37.4Very low140 Ų140151.6 Ų151.665%0.65474%0.744SS**SBendtrans-91.693179.6-157161.2-166.500110.1D454D454-E457 PolarHBondContact O-N 3.13Å
458T42.8Very low36.9Very low105 Ų105154.4 Ų154.464%0.64475%0.754SS**  trans72.692.3157.463.70000117.9F456 E460F456-T458 PolarHBondContact O-N 3.28Å; T458-E460 PolarHBondContact O-N 3.45Å
459R34.6Very low36.6Very low252 Ų252154.7 Ų154.795%0.95176%0.76SS**  trans-73.564.5141.4-70.2-171.9175.1-174.8-1.6109.3
460E35.4Very low36.1Very low164 Ų164154.7 Ų154.777%0.76677%0.766SS**  trans-87.5118.1162.3-128.7-178.9-176.300107.3T458 Q462T458-E460 PolarHBondContact O-N 3.45Å; E460-Q462 PolarHBondContact O-N 3.21Å; E460-Q462 VanDerWaalsContact O-N 3.14Å
461T36.8Very low35.7Very low130 Ų130151.7 Ų151.780%0.79877%0.768SS**  trans-62.7110.2-17341.10000111N463T461-N463 PolarHBondContact O-N 3.26Å
462Q32.3Very low35.2Very low172 Ų172154.9 Ų154.980%0.80478%0.775SS**  trans-70.174.8157.2-74.1-144.212.500109.7E460E460-Q462 PolarHBondContact O-N 3.21Å; E460-Q462 VanDerWaalsContact O-N 3.14Å
463N31.9Very low35.3Very low153 Ų153153.9 Ų153.982%0.81878%0.778SS**  trans-95.896150-116-28.9000107.3T461 H465T461-N463 PolarHBondContact O-N 3.26Å; N463-H465 PolarHBondContact O-N 3.43Å
464K30.9Very low35.2Very low179 Ų179156.7 Ų156.778%0.77878%0.784SS**  trans-54.5107168.3-79.6174.4176.2170.30109
465H28.3Very low34.9Very low173 Ų173158.1 Ų158.180%0.80179%0.787SS**  trans-140.6108.6140.8-124.2-73.3000110N463 I467N463-H465 PolarHBondContact O-N 3.43Å; H465-I467 PolarHBondContact O-N 3.48Å
466N26Very low34.7Very low159 Ų159154.7 Ų154.785%0.8578%0.782SS**  trans-48.2108163.5-95.7-27.3000109.9
467I29.9Very low34.9Very low138 Ų138153.8 Ų153.871%0.70878%0.781SS**  trans-139.1104.2149.7-58.1-177.1000107.7H465 T469H465-I467 PolarHBondContact O-N 3.48Å; I467-T469 PolarHBondContact O-N 3.07Å
468H24.7Very low35.3Very low191 Ų191153.3 Ų153.388%0.88478%0.782SS**  trans-52.6112.6155.6-97.1-70000109.4
469T31.2Very low36Very low129 Ų129151.8 Ų151.879%0.79178%0.776SS**  trans-157.5134.4141.442.30000111.1I467I467-T469 PolarHBondContact O-N 3.07Å
470N25.9Very low37.3Very low166 Ų166145 Ų14589%0.88876%0.759SS**  trans-56137.2170.8-77.3-33.9000112.4
471G29.5Very low37.9Very low71 Ų71142 Ų14273%0.73275%0.747SS**  trans75.797.3146.800000117.5
472K31.7Very low39.1Very low213 Ų213142.5 Ų142.593%0.92674%0.74SS**  -169.6146.7128.3-102.6164.9-175-178.10110.8
473S38.6Very low40.4Very low96 Ų96136.9 Ų136.967%0.67172%0.723SS**  trans-68.3142.7-158.346.60000116.1H475S473-H475 PolarHBondContact O-N 2.9Å
474K41.2Very low41.5Very low199 Ų199136 Ų13687%0.86571%0.714SS**  trans-58.9104.4167.9-56.3-178.5174.4-166.40111.1
475H40.6Very low42.6Very low147 Ų147133.3 Ų133.368%0.68171%0.708SS**  trans-142.211.1168-87-66.2000114.3S473S473-H475 PolarHBondContact O-N 2.9Å
476S51.8Low43.7Very low89 Ų89129 Ų12962%0.62270%0.697SS**SBendtrans-84.5-30.5-176.4-22.90000114.1L478 S479S476-L478 PolarHBondContact O-N 3.13Å; S476-S479 PolarHBondContact O-N 2.94Å
477E50.7Low44.9Very low163 Ų163127.4 Ų127.476%0.76269%0.693SS**Hα-helixtrans-72.6-25.4-167.5-71.5172.6-178.800114.4
478L47.2Very low45.5Very low130 Ų130127.8 Ų127.868%0.68170%0.696SS**Hα-helixtrans-81.4-29.3179.4-73.8171.1000112.9S476 D480 L481 E482S476-L478 PolarHBondContact O-N 3.13Å; L478-D480 VanDerWaalsContact C-N 3.33Å; L478-D480 PolarHBondContact O-N 2.9Å; L478-L481 PolarHBondContact O-N 2.93Å; L478-E482 PolarHBondContact O-N 3.35Å
479S56.3Low46Very low73 Ų73123.5 Ų123.551%0.5168%0.683SS.*Hα-helixtrans-68.2-34.1179.3-62.70000112.2S476 A483S476-S479 PolarHBondContact O-N 2.94Å; S479-A483 PolarHBondContact O-N 2.92Å
480D61.7Low46.3Very low111 Ų111124.6 Ų124.659%0.59468%0.682SS**Hα-helixtrans-69.8-36.5177.6-67.6-20.2000111.4L478 A483 E484L478-D480 VanDerWaalsContact C-N 3.33Å; L478-D480 PolarHBondContact O-N 2.9Å; D480-A483 PolarHBondContact O-N 3.25Å; D480-E484 PolarHBondContact O-N 3.04Å; D480-E484 VanDerWaalsContact O-N 3.13Å
481L49.1Very low46.8Very low100 Ų100121.4 Ų121.452%0.52467%0.671SS.*Hα-helixtrans-69-36.8177.8-154.782.7000112.6L478 A483 E484 L485L478-L481 PolarHBondContact O-N 2.93Å; L481-A483 VanDerWaalsContact C-N 3.33Å; L481-E484 PolarHBondContact O-N 3.43Å; L481-L485 WeakPolarHBondContact O-CG 3.32Å; L481-L485 PolarHBondContact O-N 3.05Å; L481-L485 VanDerWaalsContact O-N 3.15Å
482E61.7Low47.2Very low141 Ų141123 Ų12366%0.65967%0.668SS**Hα-helixtrans-69.7-32.4177.2-163.3172.9-160.600111.9L478 S486L478-E482 PolarHBondContact O-N 3.35Å; E482-S486 WeakPolarHBondContact O-CB 3.28Å; E482-S486 PolarHBondContact O-N 3.04Å; E482-S486 VanDerWaalsContact O-N 3.16Å; E482-S486 PolarHBondContact O-OG 3.07Å
483A58.7Low47.4Very low54 Ų54118.7 Ų118.745%0.44666%0.662SS.*Hα-helixtrans-67-42.7172.200000112S479 D480 L481 S486 V487S479-A483 PolarHBondContact O-N 2.92Å; D480-A483 PolarHBondContact O-N 3.25Å; L481-A483 VanDerWaalsContact C-N 3.33Å; A483-S486 PolarHBondContact O-N 3.26Å; A483-V487 WeakPolarHBondContact O-CG2 3.45Å; A483-V487 PolarHBondContact O-N 3.07Å
484E56Low47.2Very low135 Ų135121.9 Ų121.963%0.63167%0.67SS**Hα-helixtrans-64-41.4177.7-75.3-170.6172.300112.8D480 L481 S486 V487 L488D480-E484 PolarHBondContact O-N 3.04Å; D480-E484 VanDerWaalsContact O-N 3.13Å; L481-E484 PolarHBondContact O-N 3.43Å; E484-S486 VanDerWaalsContact C-N 3.29Å; E484-S486 PolarHBondContact O-N 2.99Å; E484-V487 PolarHBondContact O-N 3.16Å; E484-L488 PolarHBondContact O-N 3.15Å
485L53.5Low47Very low121 Ų121117.5 Ų117.563%0.63466%0.66SS**Hα-helixtrans-66.9-32176.8-71.4172.7000112.5L481 L488 T489L481-L485 WeakPolarHBondContact O-CG 3.32Å; L481-L485 PolarHBondContact O-N 3.05Å; L481-L485 VanDerWaalsContact O-N 3.15Å; L485-L488 PolarHBondContact O-N 3.1Å; L485-T489 PolarHBondContact O-OG1 2.99Å
486S51.9Low46.6Very low84 Ų84116.4 Ų116.459%0.58767%0.666SS**Hα-helixtrans-69.2-33.3175.7-61.80000112.3E482 A483 E484E482-S486 WeakPolarHBondContact O-CB 3.28Å; E482-S486 PolarHBondContact O-N 3.04Å; E482-S486 VanDerWaalsContact O-N 3.16Å; E482-S486 PolarHBondContact O-OG 3.07Å; A483-S486 PolarHBondContact O-N 3.26Å; E484-S486 VanDerWaalsContact C-N 3.29Å; E484-S486 PolarHBondContact O-N 2.99Å
487V51.7Low45.9Very low125 Ų125119.3 Ų119.376%0.75867%0.673SS**Hα-helixtrans-74.3-30.9177177.30000111.9A483 E484 T489A483-V487 WeakPolarHBondContact O-CG2 3.45Å; A483-V487 PolarHBondContact O-N 3.07Å; E484-V487 PolarHBondContact O-N 3.16Å; V487-T489 PolarHBondContact O-N 2.99Å
488L41.5Very low44.9Very low146 Ų146120.8 Ų120.876%0.76468%0.677SS**THydrogen-bonded Turntrans-79.42.5179.7-118.9100000114.9E484 L485 I490E484-L488 PolarHBondContact O-N 3.15Å; L485-L488 PolarHBondContact O-N 3.1Å; L488-I490 VanDerWaalsContact C-N 3.3Å; L488-I490 PolarHBondContact O-N 3.3Å
489T36.5Very low44.2Very low101 Ų101120.6 Ų120.662%0.6268%0.681SS**  trans-74.884.3173.7-560000109.9L485 V487 P491L485-T489 PolarHBondContact O-OG1 2.99Å; V487-T489 PolarHBondContact O-N 2.99Å; T489-P491 VanDerWaalsContact O-CD 3.31Å; T489-P491 WeakPolarHBondContact O-CD 3.41Å
490I37Very low43.2Very low151 Ų151122.6 Ų122.677%0.77469%0.692SS**PPolyproline II helixtrans-62.7117.4162.2-60.9171.7000106.7L488L488-I490 VanDerWaalsContact C-N 3.3Å; L488-I490 PolarHBondContact O-N 3.3Å
491P35.4Very low41.8Very low99 Ų99122.6 Ų122.664%0.64370%0.701SS**PPolyproline II helixtrans-65.2142.7-178.424.8-32000110.6T489T489-P491 VanDerWaalsContact O-CD 3.31Å; T489-P491 WeakPolarHBondContact O-CD 3.41Å
492P38.9Very low41.1Very low105 Ų105125.8 Ų125.868%0.68272%0.718SS**PPolyproline II helixtrans-63.1145.3-176.325.5-33.4000111.1I494P492-I494 PolarHBondContact O-N 3.11Å
493P35.6Very low39.7Very low123 Ų123124.9 Ų124.980%0.79972%0.717SS**  trans-60.6112.9-179.822.5-31.3000110.8T495P493-T495 VanDerWaalsContact C-N 3.34Å; P493-T495 PolarHBondContact O-N 2.82Å
494I34.5Very low38.6Very low162 Ų162127.6 Ų127.683%0.83173%0.728SS**  trans-73.287.8173.8-55166.7000107.6P492P492-I494 PolarHBondContact O-N 3.11Å
495T37.5Very low38Very low108 Ų108128.9 Ų128.966%0.66373%0.734SS**  trans-96.8117.8156.247.70000108.3P493 I497P493-T495 VanDerWaalsContact C-N 3.34Å; P493-T495 PolarHBondContact O-N 2.82Å; T495-I497 PolarHBondContact O-N 3.08Å
496P31.9Very low37.2Very low124 Ų124126.2 Ų126.281%0.80573%0.729SS**  trans-69.9101.4-17627.4-32.6000110.1K498P496-K498 PolarHBondContact O-N 3.2Å; P496-K498 VanDerWaalsContact O-N 3.15Å
497I37.4Very low36.6Very low150 Ų150126.3 Ų126.377%0.76972%0.723SS**  trans-74.2106170.5-60.4173000107.1T495 T499T495-I497 PolarHBondContact O-N 3.08Å; I497-T499 PolarHBondContact O-N 3.16Å; I497-T499 VanDerWaalsContact O-N 3.13Å
498K29.4Very low36.3Very low193 Ų193126.2 Ų126.284%0.83972%0.718SS**  trans-56.1113.3171.4-162.3176.5-174.1179.60108.3P496 P500P496-K498 PolarHBondContact O-N 3.2Å; P496-K498 VanDerWaalsContact O-N 3.15Å; K498-P500 VanDerWaalsContact O-CD 3.28Å; K498-P500 WeakPolarHBondContact O-CD 3.44Å; K498-P500 VanDerWaalsContact O-N 3.14Å
499T31.6Very low36.3Very low126 Ų126127 Ų12777%0.77372%0.715SS**  trans-50.2112.7177.8450000110.7I497 S501I497-T499 PolarHBondContact O-N 3.16Å; I497-T499 VanDerWaalsContact O-N 3.13Å; T499-S501 PolarHBondContact O-N 3.02Å
500P35Very low36.3Very low115 Ų115127.2 Ų127.275%0.74771%0.712SS**  trans-66.7128.9171.925.7-29.6000108.7K498 L502K498-P500 VanDerWaalsContact O-CD 3.28Å; K498-P500 WeakPolarHBondContact O-CD 3.44Å; K498-P500 VanDerWaalsContact O-N 3.14Å; P500-L502 PolarHBondContact O-N 2.88Å
501S33.5Very low36.5Very low111 Ų111124.3 Ų124.378%0.77670%0.697SS**  trans-51124.2176.351.30000110.7T499 L503T499-S501 PolarHBondContact O-N 3.02Å; S501-L503 PolarHBondContact O-N 3.3Å
502L34.4Very low36.9Very low167 Ų167125.6 Ų125.687%0.87470%0.695SS**  trans-36.3106169.9-91.3147.4000111.3P500 V504P500-L502 PolarHBondContact O-N 2.88Å; L502-V504 PolarHBondContact O-N 3.01Å
503L32.5Very low37.2Very low122 Ų122127 Ų12764%0.63970%0.695SS**  trans-70108.8164.3-101.2160.4000107.1S501 D507S501-L503 PolarHBondContact O-N 3.3Å; L503-D507 HydrophobicContact CD2-CB 4.41Å; L503-D507 WeakPolarHBondContact CD2-OD2 3.31Å
504V35.1Very low37.4Very low112 Ų112125.9 Ų125.968%0.67968%0.683SS**  trans-62.1138.9-179.2175.60000109.2L502 A506 D507L502-V504 PolarHBondContact O-N 3.01Å; V504-A506 PolarHBondContact O-N 3.24Å; V504-D507 PolarHBondContact O-N 3.1Å
505E42.9Very low38Very low162 Ų162123.4 Ų123.476%0.75767%0.666SS**THydrogen-bonded Turntrans-41.7-11.5-176.9-161.1162.6-177.300117.4D507E505-D507 VanDerWaalsContact C-N 3.31Å; E505-D507 PolarHBondContact O-N 2.86Å
506A37.6Very low38.5Very low65 Ų65125.1 Ų125.154%0.53766%0.66SS.*Hα-helixtrans-62.3-33.417400000113.3V504 L508V504-A506 PolarHBondContact O-N 3.24Å; A506-L508 PolarHBondContact O-N 3.24Å
507D38.6Very low39.4Very low86 Ų86123.1 Ų123.146%0.4665%0.649SS.*Hα-helixtrans-78-20.6-173.8-74.6-4.1000113.4L503 V504 E505 L510 L511L503-D507 HydrophobicContact CD2-CB 4.41Å; L503-D507 WeakPolarHBondContact CD2-OD2 3.31Å; V504-D507 PolarHBondContact O-N 3.1Å; E505-D507 VanDerWaalsContact C-N 3.31Å; E505-D507 PolarHBondContact O-N 2.86Å; D507-L510 PolarHBondContact O-N 3.1Å; D507-L511 PolarHBondContact O-N 3.45Å
508L45.9Very low40.3Very low122 Ų122125 Ų12564%0.63965%0.651SS**Hα-helixtrans-71.3-36.4176.1-69177.6000112.2A506 L510 L511 E512A506-L508 PolarHBondContact O-N 3.24Å; L508-L510 VanDerWaalsContact C-N 3.29Å; L508-L510 PolarHBondContact O-N 2.8Å; L508-L511 PolarHBondContact O-N 2.83Å; L508-E512 PolarHBondContact O-N 3.38Å
509K40.5Very low41.7Very low162 Ų162119.3 Ų119.370%0.70463%0.63SS**Hα-helixtrans-68.8-28.7176-76.3-173.6178.3179.90112.8
510L37.6Very low43.2Very low106 Ų106116.7 Ų116.756%0.55562%0.617SS**Hα-helixtrans-71.5-31.9175.8-109.9156.9000112.1D507 L508 N514D507-L510 PolarHBondContact O-N 3.1Å; L508-L510 VanDerWaalsContact C-N 3.29Å; L508-L510 PolarHBondContact O-N 2.8Å; L510-N514 PolarHBondContact O-N 3.37Å
511L40.1Very low44.9Very low90 Ų90119.6 Ų119.647%0.47162%0.62SS.*Hα-helixtrans-74.1-34179.7-147.876.9000112.7D507 L508 I513 K515D507-L511 PolarHBondContact O-N 3.45Å; L508-L511 PolarHBondContact O-N 2.83Å; L511-I513 PolarHBondContact O-N 3.01Å; L511-K515 HydrophobicContact CD1-CD 4.35Å; L511-K515 HydrophobicContact CG-CD 4.39Å
512E45.2Very low46.4Very low126 Ų126118.3 Ų118.359%0.58961%0.611SS**Hα-helixtrans-72.6-28.5-175.6-152.6174.7-17100113L508L508-E512 PolarHBondContact O-N 3.38Å
513I44.2Very low47.9Very low134 Ų134113.3 Ų113.369%0.68759%0.587SS**Hα-helixtrans-93.3-37.6-176.6-51.3170.6000111.5L511L511-I513 PolarHBondContact O-N 3.01Å
514N39.2Very low49.3Very low101 Ų101112.7 Ų112.754%0.5458%0.577SS.*Hα-helixtrans-85.2-15.3-171.5-91.6-26.2000116L510 S517L510-N514 PolarHBondContact O-N 3.37Å; N514-S517 PolarHBondContact O-OG 3.19Å
515K48.3Very low50.9Low110 Ų110110.1 Ų110.148%0.47856%0.564SS.*SBendtrans-100.6-17.6-178-68.3-165.3176.9-171.10115L511 S517L511-K515 HydrophobicContact CD1-CD 4.35Å; L511-K515 HydrophobicContact CG-CD 4.39Å; K515-S517 VanDerWaalsContact C-N 3.27Å; K515-S517 PolarHBondContact O-N 2.94Å
516R47.5Very low51.9Low144 Ų144106.1 Ų106.154%0.54355%0.55SS.*THydrogen-bonded Turntrans-73.6-16.8176.1-77.2-177.8171.2172.10.9113.5R524R516-R524 VanDerWaalsContact O-CD 3.3Å; R516-R524 WeakPolarHBondContact O-CD 3.36Å; R516-R524 VanDerWaalsContact O-CZ 3.23Å; R516-R524 PolarHBondContact O-NE 3.2Å; R516-R524 PolarHBondContact O-NH1 2.71Å
517S50.5Low53.1Low81 Ų81107.5 Ų107.557%0.56655%0.548SS*.THydrogen-bonded Turntrans-79.8-19.1179.857.80000114.6N514 K515N514-S517 PolarHBondContact O-OG 3.19Å; K515-S517 VanDerWaalsContact C-N 3.27Å; K515-S517 PolarHBondContact O-N 2.94Å
518K56Low54.6Low189 Ų189109.6 Ų109.682%0.82256%0.56SS**SBendtrans-93.7-8.6-178.2-69.1-171177.6-171.90114.7
519L60.2Low55.5Low75 Ų75112.8 Ų112.839%0.39356%0.563SS.*SBendtrans-79.1130.4176.3-65.6173.7000108.7V523 R524 L527L519-V523 HydrophobicContact CB-CG1 4.44Å; L519-V523 HydrophobicContact CD2-CG1 4.1Å; L519-R524 HydrophobicContact CB-CG 3.78Å; L519-R524 HydrophobicContact CD1-CG 4.46Å; L519-L527 HydrophobicContact CD1-CD1 4.06Å
520S63.1Low56.1Low71 Ų71110.1 Ų110.150%0.49756%0.556SS.*  trans-54.7147.717466.70000110.1S522 V523 R524S520-S522 PolarHBondContact O-N 2.93Å; S520-S522 VanDerWaalsContact O-N 3.11Å; S520-V523 PolarHBondContact O-N 3.33Å; S520-V523 WeakPolarHBondContact OG-CG2 3.32Å; S520-R524 PolarHBondContact O-N 3.39Å
521E69.5Low56.5Low175 Ų175109.8 Ų109.882%0.81856%0.56SS**Hα-helixtrans-54.9-34.9-174.9-166.4168.5-166.200112.1R524 S525E521-R524 PolarHBondContact O-N 2.81Å; E521-S525 WeakPolarHBondContact O-CB 3.17Å; E521-S525 PolarHBondContact O-N 2.84Å
522S65.1Low56.7Low84 Ų84113.2 Ų113.259%0.58758%0.576SS**Hα-helixtrans-60.8-47.4172.8-176.60000112.8S520 R524 S525 T526S520-S522 PolarHBondContact O-N 2.93Å; S520-S522 VanDerWaalsContact O-N 3.11Å; S522-R524 PolarHBondContact O-N 3.11Å; S522-S525 WeakPolarHBondContact O-CB 3.17Å; S522-S525 PolarHBondContact O-N 2.9Å; S522-T526 PolarHBondContact O-N 2.75Å; S522-T526 PolarHBondContact O-OG1 2.84Å; S522-T526 VanDerWaalsContact O-OG1 3.04Å
523V67.1Low56.6Low62 Ų62113.9 Ų113.938%0.37658%0.582SS.*Hα-helixtrans-67.6-38.6-179.9175.30000111.2L519 S520 T526 L527L519-V523 HydrophobicContact CB-CG1 4.44Å; L519-V523 HydrophobicContact CD2-CG1 4.1Å; S520-V523 PolarHBondContact O-N 3.33Å; S520-V523 WeakPolarHBondContact OG-CG2 3.32Å; V523-T526 PolarHBondContact O-N 3.41Å; V523-L527 HydrophobicContact CG1-CD1 3.88Å; V523-L527 HydrophobicContact CG1-CG 4.45Å; V523-L527 WeakPolarHBondContact O-CB 3.09Å; V523-L527 WeakPolarHBondContact O-CG 3.46Å; V523-L527 PolarHBondContact O-N 2.9Å
524R61Low56.2Low110 Ų110112.7 Ų112.742%0.41558%0.577SS.*Hα-helixtrans-63.5-43.4173.3-74.3179.384.6168.3-0.7111.8R516 L519 S520 E521 S522 N528R516-R524 VanDerWaalsContact O-CD 3.3Å; R516-R524 WeakPolarHBondContact O-CD 3.36Å; R516-R524 VanDerWaalsContact O-CZ 3.23Å; R516-R524 PolarHBondContact O-NE 3.2Å; R516-R524 PolarHBondContact O-NH1 2.71Å; L519-R524 HydrophobicContact CB-CG 3.78Å; L519-R524 HydrophobicContact CD1-CG 4.46Å; S520-R524 PolarHBondContact O-N 3.39Å; E521-R524 PolarHBondContact O-N 2.81Å; S522-R524 PolarHBondContact O-N 3.11Å; R524-N528 VanDerWaalsContact O-CB 3.3Å; R524-N528 WeakPolarHBondContact O-CB 3.36Å; R524-N528 PolarHBondContact O-N 3.47Å; R524-N528 PolarHBondContact O-ND2 3.13Å
525S68.6Low56.3Low58 Ų58118.4 Ų118.441%0.40659%0.592SS.*Hα-helixtrans-57.9-48175.91560000111.4E521 S522 N528 R529E521-S525 WeakPolarHBondContact O-CB 3.17Å; E521-S525 PolarHBondContact O-N 2.84Å; S522-S525 WeakPolarHBondContact O-CB 3.17Å; S522-S525 PolarHBondContact O-N 2.9Å; S525-N528 PolarHBondContact O-N 2.82Å; S525-R529 WeakPolarHBondContact O-CB 3.46Å; S525-R529 PolarHBondContact O-N 3.22Å
526T63.5Low55.6Low77 Ų77121.9 Ų121.947%0.47261%0.612SS.*Hα-helixtrans-66.8-45.3-179.5-54.20000111.7S522 V523 N528 R529 L530S522-T526 PolarHBondContact O-N 2.75Å; S522-T526 PolarHBondContact O-OG1 2.84Å; S522-T526 VanDerWaalsContact O-OG1 3.04Å; V523-T526 PolarHBondContact O-N 3.41Å; T526-N528 VanDerWaalsContact C-N 3.33Å; T526-N528 PolarHBondContact O-N 3.4Å; T526-R529 WeakPolarHBondContact O-CB 3.4Å; T526-R529 PolarHBondContact O-N 3.08Å; T526-L530 WeakPolarHBondContact O-CG 3.42Å; T526-L530 PolarHBondContact O-N 2.74Å
527L63.7Low55.1Low95 Ų95122.1 Ų122.150%0.49761%0.613SS.*Hα-helixtrans-62.2-38.6176.5-77.4167.9000112.5L519 V523 R529 L530L519-L527 HydrophobicContact CD1-CD1 4.06Å; V523-L527 HydrophobicContact CG1-CD1 3.88Å; V523-L527 HydrophobicContact CG1-CG 4.45Å; V523-L527 WeakPolarHBondContact O-CB 3.09Å; V523-L527 WeakPolarHBondContact O-CG 3.46Å; V523-L527 PolarHBondContact O-N 2.9Å; L527-R529 VanDerWaalsContact C-N 3.26Å; L527-R529 PolarHBondContact O-N 3.29Å; L527-L530 HydrophobicContact CD2-CD1 4.24Å; L527-L530 PolarHBondContact O-N 2.96Å
528N69.8Low54.7Low130 Ų130124.3 Ų124.370%0.69563%0.629SS**Hα-helixtrans-70.1-22.9174.7-73-18000112.9R524 S525 T526R524-N528 VanDerWaalsContact O-CB 3.3Å; R524-N528 WeakPolarHBondContact O-CB 3.36Å; R524-N528 PolarHBondContact O-N 3.47Å; R524-N528 PolarHBondContact O-ND2 3.13Å; S525-N528 PolarHBondContact O-N 2.82Å; T526-N528 VanDerWaalsContact C-N 3.33Å; T526-N528 PolarHBondContact O-N 3.4Å
529R66Low53.8Low189 Ų189123.2 Ų123.271%0.71362%0.624SS**Hα-helixtrans-83.4-23175.2-89-178.9160.4-166-4.9113.2S525 T526 L527S525-R529 WeakPolarHBondContact O-CB 3.46Å; S525-R529 PolarHBondContact O-N 3.22Å; T526-R529 WeakPolarHBondContact O-CB 3.4Å; T526-R529 PolarHBondContact O-N 3.08Å; L527-R529 VanDerWaalsContact C-N 3.26Å; L527-R529 PolarHBondContact O-N 3.29Å
530L52.7Low52.6Low106 Ų106130.3 Ų130.356%0.55565%0.646SS**SBendtrans-67.5130.1174.8-69.2173.3000108.4T526 L527 M532T526-L530 WeakPolarHBondContact O-CG 3.42Å; T526-L530 PolarHBondContact O-N 2.74Å; L527-L530 HydrophobicContact CD2-CD1 4.24Å; L527-L530 PolarHBondContact O-N 2.96Å; L530-M532 PolarHBondContact O-N 2.82Å
531P44.8Very low51.4Low99 Ų99134.4 Ų134.464%0.64366%0.661SS**  trans-55.5135.8171.722.3-29.9000107.9I533P531-I533 VanDerWaalsContact C-N 3.27Å; P531-I533 WeakPolarHBondContact O-CG1 3.46Å; P531-I533 PolarHBondContact O-N 3.49Å
532M43.9Very low49.6Very low161 Ų161134 Ų13479%0.79366%0.661SS**  trans-65.194.1176.8-134.7-179.787.700107.2L530 N534L530-M532 PolarHBondContact O-N 2.82Å; M532-N534 VanDerWaalsContact CE-OD1 3.3Å; M532-N534 WeakPolarHBondContact CE-OD1 3.48Å; M532-N534 PolarHBondContact O-N 2.78Å
533I44.3Very low48.1Very low140 Ų140137.3 Ų137.372%0.71867%0.665SS**  trans-73.783.7177.8-50.3179.8000106.1P531 Y535P531-I533 VanDerWaalsContact C-N 3.27Å; P531-I533 WeakPolarHBondContact O-CG1 3.46Å; P531-I533 PolarHBondContact O-N 3.49Å; I533-Y535 PolarHBondContact O-N 2.88Å; I533-Y535 VanDerWaalsContact O-N 3.08Å
534N36.5Very low46.5Very low109 Ų109140.3 Ų140.358%0.58369%0.686SS**  trans-62.4112.6163.3-80.4-23000106.1M532 M536M532-N534 VanDerWaalsContact CE-OD1 3.3Å; M532-N534 WeakPolarHBondContact CE-OD1 3.48Å; M532-N534 PolarHBondContact O-N 2.78Å; N534-M536 PolarHBondContact O-N 2.91Å
535Y40.1Very low45.2Very low221 Ų221141.4 Ų141.487%0.86771%0.705SS**  trans-40106.2179.6-87.3-98.1000111.4I533 R537I533-Y535 PolarHBondContact O-N 2.88Å; I533-Y535 VanDerWaalsContact O-N 3.08Å; Y535-R537 PolarHBondContact O-N 2.88Å
536M33.4Very low43.6Very low183 Ų183145.1 Ų145.190%0.90172%0.716SS**  trans-6798167.6-75.8-98.1-75.100107.5N534 S538N534-M536 PolarHBondContact O-N 2.91Å; M536-S538 PolarHBondContact O-N 3.19Å
537R37.2Very low42.2Very low149 Ų149150.4 Ų150.456%0.56274%0.735SS**  trans-66.1129177.4-86.7-175.6170.1177.2-0.9110.4I86 Y535 K539I86-R537 VanDerWaalsContact CD1-NH2 3.29Å; Y535-R537 PolarHBondContact O-N 2.88Å; R537-K539 VanDerWaalsContact C-N 3.33Å; R537-K539 PolarHBondContact O-N 3.22Å
538S43Very low40.9Very low128 Ų128155 Ų15590%0.89575%0.754SS**  trans-52.164.7-176-29.70000116.5M536M536-S538 PolarHBondContact O-N 3.19Å
539K36.2Very low39.3Very low166 Ų166154.1 Ų154.172%0.72276%0.758SS**  trans-119116.1165.2-70.9-170.1178.8-177.30109.7R537R537-K539 VanDerWaalsContact C-N 3.33Å; R537-K539 PolarHBondContact O-N 3.22Å
540R35.9Very low37.9Very low224 Ų224154.4 Ų154.485%0.84577%0.768SS**  trans93.964.8173.1-56.8175.3169157-4.6116.6M542R540-M542 VanDerWaalsContact C-N 3.34Å
541L36.4Very low37.5Very low156 Ų156160.5 Ų160.582%0.81780%0.801SS**  trans-88.981.2140.3-71.9167000106.7F543L541-F543 HydrophobicContact CB-CE2 3.99Å
542M33.1Very low37.2Very low167 Ų167163.6 Ų163.682%0.82381%0.809SS**  trans-84.5114.2170.1-82.3-169.27800108.3R540R540-M542 VanDerWaalsContact C-N 3.34Å
543F32.4Very low36.8Very low154 Ų154163.7 Ų163.768%0.67581%0.809SS**PPolyproline II helixtrans-90.4135.5173-69.5-84.4000109.9L541L541-F543 HydrophobicContact CB-CE2 3.99Å
544P35Very low36.4Very low125 Ų125165.1 Ų165.181%0.81281%0.814SS**PPolyproline II helixtrans-74127.7178.9-11.326.3000111.8
545V33.7Very low36.4Very low133 Ų133168.4 Ų168.481%0.80683%0.828SS**PPolyproline II helixtrans-94.8124.7170.9-179.50000108.8Q547V545-Q547 PolarHBondContact O-N 3.24Å
546Q34.6Very low36.2Very low136 Ų136165.1 Ų165.164%0.63683%0.826SS**  trans-79.4109.2174.8-67.7-176-48.600109.6
547Q34.2Very low36.4Very low187 Ų187163.9 Ų163.987%0.87482%0.821SS**PPolyproline II helixtrans-79.6123.2168-75.1-179.9-35.700109.4V545V545-Q547 PolarHBondContact O-N 3.24Å
548Q35.3Very low36.3Very low192 Ų192164.9 Ų164.990%0.89784%0.839SS**PPolyproline II helixtrans-73.1123.6169.8-82.4177-38.300109
549S35.8Very low35.8Very low112 Ų112167.8 Ų167.878%0.78384%0.835SS**PPolyproline II helixtrans-66.5125171.548.80000110.2
550Q37.5Very low35.8Very low195 Ų195167.9 Ų167.991%0.91184%0.844SS**  trans-112.2114.6166.8-143.9172.50.300106.8
551D45.1Very low35.7Very low234 Ų234162.8 Ų162.8100%1.25184%0.844SS**  trans-66.80174.5-72.4-43.1000112.5

Retrieved 551 of 551 residues in 302.5 ms (Link to these results)