A0A3Q0KKF0_SCHMA Loading...

Expressed conserved protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 363 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M42Very low46.3Very low248 Ų248165.6 Ų165.6100%1.22286%0.862SS**  0-172.20-81.3178.1166.400109
2M48.5Very low45.9Very low198 Ų198159.8 Ų159.898%0.97585%0.846SS**  trans-56.8157.8-173.1-53.1169.2-163.800113.2
3G43Very low45.4Very low77 Ų77156.7 Ų156.779%0.79485%0.845SS**  cis-168-176.35.100000114
4R41.7Very low45.2Very low238 Ų238153.9 Ų153.990%0.89884%0.844SS**  trans-88.2157.6-176.4-67.4172.8167.9174.8-5.2113
5S57.1Low45Very low123 Ų123150.7 Ų150.786%0.8684%0.836SS**  trans-158.5142.2132.9-85.10000112
6H42.6Very low45.3Very low185 Ų185150.3 Ų150.386%0.85683%0.832SS**  trans-121.1153.3167.4-75.1-69.9000108.6
7S53.9Low45.2Very low113 Ų113151.1 Ų151.179%0.7983%0.828SS**  trans-131.5143.8160.9-174.30000109.9
8R44.8Very low45.5Very low224 Ų224152.3 Ų152.385%0.84582%0.824SS**  trans-143135.8172-65.8-175.4-174.2174.51.8108.8
9Y49.5Very low45.4Very low217 Ų217152.4 Ų152.485%0.85182%0.819SS**  trans-133.5120.8156.8-102.8-105.4000105.1
10S43.4Very low45.3Very low84 Ų84153.7 Ų153.759%0.58781%0.811SS**  67.399.456.9-54.40000110.6
11S43.2Very low45.3Very low115 Ų115152.6 Ų152.680%0.80481%0.811SS**  84146.186.6-66.80000112.5
12S41.4Very low45.4Very low95 Ų95148.1 Ų148.166%0.66478%0.781SS**  cis-177150.7-16.150.90000109.2
13S38.9Very low45.4Very low120 Ų120146.8 Ų146.884%0.83977%0.772SS**  trans53.2128.8150.9-53.70000121.6
14S42.4Very low45.5Very low118 Ų118149.3 Ų149.383%0.82577%0.772SS**  -164.9142.2125.2-1640000112.1
15S42.2Very low45.8Very low105 Ų105147.2 Ų147.273%0.73477%0.77SS**  trans-102.9168.917157.60000110.9
16N50.9Low45.5Very low144 Ų144145.9 Ų145.977%0.7776%0.758SS**  trans-156.7138.5151.4-112.2-56.7000112.1
17E42.7Very low45.9Very low164 Ų164145.9 Ų145.977%0.76676%0.758SS**  trans-144.3135.7-176.4-179-171.6161.400109.2
18K50.3Low45.5Very low173 Ų173143.6 Ų143.675%0.75275%0.752SS**  trans-162.8117.6163.9-96123.4-163.7170.70109
19H43.8Very low45.6Very low155 Ų155145.1 Ų145.172%0.71876%0.758SS**  69.6145.287.9-88.1-112000115
20R43.7Very low45.7Very low178 Ų178139.6 Ų139.667%0.67275%0.751SS**  cis147.2116.9-20.9-109.3-159.6180-175.18.7107.7Y22R20-Y22 PolarHBondContact NH1-OH 3.47Å
21T44.4Very low45.9Very low130 Ų130144 Ų14480%0.79876%0.762SS**  trans-167.2119.5156.426.60000107.4
22Y45Very low46.4Very low154 Ų154150.2 Ų150.260%0.60477%0.768SS**  71.2136.561.6-58.1-51.1000113.3R20R20-Y22 PolarHBondContact NH1-OH 3.47Å
23H48Very low46.9Very low170 Ų170154.5 Ų154.579%0.78777%0.774SS**  cis-114.7-128.65.1-59.9-100.7000112.2
24T46.1Very low47.7Very low130 Ų130158 Ų15880%0.79878%0.775SS**  cis-159-1780.6-23.60000110.6
25K46.4Very low48.3Very low194 Ų194158.4 Ų158.484%0.84377%0.772SS**  trans-152.9-161.8173.8-48.5179.3-176.9173.90108.9
26P51.7Low48.7Very low96 Ų96163.4 Ų163.462%0.62378%0.78SS**  cis-135.3-167.4-23.721.26.1000114.6
27H50.2Low48.7Very low185 Ų185166 Ų16686%0.85679%0.785SS**  trans74.6149.3163.4-53.2-72.8000119.8
28G46.1Very low49.1Very low64 Ų64168.3 Ų168.366%0.6679%0.792SS**  cis162.5135.1-14.700000116
29R47.6Very low49.2Very low257 Ų257164.3 Ų164.397%0.9779%0.786SS**  trans63.9162.3178.4-59177170.6168.6-4.1113.7
30S50.7Low49.8Very low100 Ų100163 Ų16370%0.69979%0.789SS**  cis-144.6-178.22.4-155.90000112.4
31H48.6Very low50.3Low177 Ų177161.1 Ų161.182%0.81979%0.792SS**  trans-53.7142.4-174.1-40.7-89.9000116.4
32R53.2Low50.8Low246 Ų246161 Ų16193%0.92879%0.785SS**  -168.8154113.9-108.7175.5179.2-166.70.5116.6
33K52.9Low51.4Low184 Ų184159.9 Ų159.980%0.879%0.79SS**  trans-31141.3169-76.6172.4173.61750119.1
34K54.5Low51.9Low195 Ų195154.6 Ų154.685%0.84878%0.776SS**  trans83.9153.3144.3-69.6176.4175.4-1690120.9
35V55.9Low52.8Low125 Ų125151.5 Ų151.576%0.75876%0.759SS**  trans71.878.9163.1-152.70000120.4K37V35-K37 PolarHBondContact O-N 2.94Å
36K50.1Low53.9Low210 Ų210146 Ų14691%0.91374%0.739SS**  40.681.1115.2-157.2177.5-172.9-179.20117.6
37K51.1Low55Low199 Ų199144.2 Ų144.287%0.86573%0.729SS**  trans-134.1124.1158.6-84-174.9175.51780110.8V35V35-K37 PolarHBondContact O-N 2.94Å
38K49.9Very low56.3Low213 Ų213144.3 Ų144.393%0.92672%0.722SS**  trans-15976.3177-166.6177.6-177.3-178.50111.5
39S53.7Low58Low88 Ų88147.2 Ų147.262%0.61572%0.718SS**  trans-156-24.8-178.552.10000116.5N41S39-N41 PolarHBondContact O-N 3.42Å
40V56.5Low59.7Low128 Ų128141.2 Ų141.278%0.77670%0.699SS**THydrogen-bonded Turntrans-69.5-25.2-163.3-176.40000115.1L42V40-L42 PolarHBondContact O-N 3.41Å
41N54.5Low61.4Low138 Ų138140.7 Ų140.774%0.73869%0.688SS**THydrogen-bonded Turntrans-83.8-6.2-166.9-1494.9000115.3S39S39-N41 PolarHBondContact O-N 3.42Å
42L55.1Low63.3Low127 Ų127139.9 Ų139.967%0.66568%0.683SS**Hα-helixtrans-75.9-23.6-174.2-73168.6000114.2V40 S45V40-L42 PolarHBondContact O-N 3.41Å; L42-S45 PolarHBondContact O-OG 3.46Å
43N57.5Low65Low132 Ų132132.9 Ų132.971%0.70666%0.663SS**Hα-helixtrans-76.8-31.4-176.3-66.9-4.1000112.4N46 S47N43-N46 PolarHBondContact O-N 3.17Å; N43-S47 PolarHBondContact O-N 3.27Å; N43-S47 VanDerWaalsContact O-N 3.15Å
44A58.6Low66.7Low58 Ų58129.7 Ų129.748%0.47965%0.654SS.*Hα-helixtrans-74.9-33-176.600000113.5R48A44-R48 PolarHBondContact O-N 3.37Å
45S63.4Low68.5Low65 Ų65125.8 Ų125.846%0.45564%0.642SS.*Hα-helixtrans-70-40.6171.555.20000111.3L42 S47 R48 Q49L42-S45 PolarHBondContact O-OG 3.46Å; S45-S47 PolarHBondContact O-N 3.45Å; S45-R48 PolarHBondContact O-N 3.39Å; S45-Q49 WeakPolarHBondContact O-CB 3.46Å; S45-Q49 PolarHBondContact O-N 2.88Å
46N69.8Low70.2Confident80 Ų80125.3 Ų125.343%0.42863%0.634SS.*Hα-helixtrans-64.1-38.9-178.8-159.3-34.5000112N43 Q49 K50N43-N46 PolarHBondContact O-N 3.17Å; N46-Q49 PolarHBondContact O-N 2.97Å; N46-K50 WeakPolarHBondContact O-CG 3.35Å; N46-K50 PolarHBondContact O-N 3.32Å; N46-K50 WeakPolarHBondContact OD1-CE 3.48Å
47S75.7Confident72.1Confident58 Ų58118.9 Ų118.941%0.40661%0.613SS.*Hα-helixtrans-58.5-55.6170.2119.50000111.1N43 S45 Q49 K50 D51N43-S47 PolarHBondContact O-N 3.27Å; N43-S47 VanDerWaalsContact O-N 3.15Å; S45-S47 PolarHBondContact O-N 3.45Å; S47-Q49 PolarHBondContact O-N 3.02Å; S47-K50 WeakPolarHBondContact O-CA 3.31Å; S47-K50 WeakPolarHBondContact O-CB 3.41Å; S47-K50 PolarHBondContact O-N 3.47Å; S47-D51 VanDerWaalsContact C-OD2 3.31Å; S47-D51 PolarHBondContact O-N 3.25Å; S47-D51 PolarHBondContact OG-OD2 2.94Å
48R77.6Confident74.2Confident187 Ų187115.6 Ų115.671%0.70660%0.601SS**Hα-helixtrans-58.7-23.9-179.8-71.4-178.7172.2-166.9-2.6113.6A44 S45 K52A44-R48 PolarHBondContact O-N 3.37Å; S45-R48 PolarHBondContact O-N 3.39Å; R48-K52 VanDerWaalsContact O-CG 3.31Å; R48-K52 WeakPolarHBondContact O-CG 3.43Å; R48-K52 PolarHBondContact O-N 3Å
49Q80.6Confident76.3Confident125 Ų125112.6 Ų112.658%0.58459%0.588SS**Hα-helixtrans-79.8-42.3175-144166.4-9.800111.3S45 N46 S47 K52 I53S45-Q49 WeakPolarHBondContact O-CB 3.46Å; S45-Q49 PolarHBondContact O-N 2.88Å; N46-Q49 PolarHBondContact O-N 2.97Å; S47-Q49 PolarHBondContact O-N 3.02Å; Q49-K52 PolarHBondContact O-N 3.47Å; Q49-I53 VanDerWaalsContact O-CG1 3.3Å; Q49-I53 WeakPolarHBondContact O-CG1 3.4Å; Q49-I53 PolarHBondContact O-N 2.92Å
50K83.4Confident78.2Confident130 Ų130111.6 Ų111.657%0.56558%0.578SS**Hα-helixtrans-61-43.9171.4-70.6176.4179.2-174.20112.3N46 S47 K52 I53 L54N46-K50 WeakPolarHBondContact O-CG 3.35Å; N46-K50 PolarHBondContact O-N 3.32Å; N46-K50 WeakPolarHBondContact OD1-CE 3.48Å; S47-K50 WeakPolarHBondContact O-CA 3.31Å; S47-K50 WeakPolarHBondContact O-CB 3.41Å; S47-K50 PolarHBondContact O-N 3.47Å; K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 PolarHBondContact O-N 3.15Å; K50-I53 PolarHBondContact O-N 3.45Å; K50-I53 VanDerWaalsContact O-N 3.12Å; K50-L54 WeakPolarHBondContact O-CG 3.44Å; K50-L54 PolarHBondContact O-N 3.49Å
51D87.5Confident79.9Confident89 Ų89108.6 Ų108.648%0.47656%0.562SS.*Hα-helixtrans-59.6-41.7178.9-56.5-34.9000111.3S47 N55S47-D51 VanDerWaalsContact C-OD2 3.31Å; S47-D51 PolarHBondContact O-N 3.25Å; S47-D51 PolarHBondContact OG-OD2 2.94Å; D51-N55 WeakPolarHBondContact O-CB 3.43Å; D51-N55 PolarHBondContact O-N 3Å; D51-N55 VanDerWaalsContact O-N 3.09Å
52K88.5Confident81.8Confident161 Ų161106.9 Ų106.970%0.755%0.553SS**Hα-helixtrans-65.7-41174.1-75.7177177.7-170.70112.9R48 Q49 K50 L56R48-K52 VanDerWaalsContact O-CG 3.31Å; R48-K52 WeakPolarHBondContact O-CG 3.43Å; R48-K52 PolarHBondContact O-N 3Å; Q49-K52 PolarHBondContact O-N 3.47Å; K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 PolarHBondContact O-N 3.15Å; K52-L56 WeakPolarHBondContact O-CB 3.41Å; K52-L56 PolarHBondContact O-N 3.09Å
53I88.2Confident83.5Confident99 Ų99106.8 Ų106.851%0.50855%0.55SS.*Hα-helixtrans-65.1-46.7178-69.6163.6000110.1Q49 K50 N55 L56 T57Q49-I53 VanDerWaalsContact O-CG1 3.3Å; Q49-I53 WeakPolarHBondContact O-CG1 3.4Å; Q49-I53 PolarHBondContact O-N 2.92Å; K50-I53 PolarHBondContact O-N 3.45Å; K50-I53 VanDerWaalsContact O-N 3.12Å; I53-N55 VanDerWaalsContact C-N 3.35Å; I53-N55 PolarHBondContact O-N 3.42Å; I53-L56 PolarHBondContact O-N 3.34Å; I53-T57 PolarHBondContact O-N 3.12Å; I53-T57 PolarHBondContact O-OG1 2.88Å; I53-T57 VanDerWaalsContact O-OG1 3.08Å
54L89.3Confident85.2Confident117 Ų117104.4 Ų104.461%0.61354%0.54SS*.Hα-helixtrans-59.2-44.4177-71.8171.1000112.1K50 L56 T57 Q58K50-L54 WeakPolarHBondContact O-CG 3.44Å; K50-L54 PolarHBondContact O-N 3.49Å; L54-L56 PolarHBondContact O-N 3.04Å; L54-T57 PolarHBondContact O-N 3.23Å; L54-Q58 WeakPolarHBondContact O-CB 3.35Å; L54-Q58 PolarHBondContact O-N 2.98Å
55N91.9Very high86.6Confident112 Ų112105.5 Ų105.560%0.59954%0.538SS*.Hα-helixtrans-63.8-40.5177.7-159.1-63.1000111.8D51 I53 K59D51-N55 WeakPolarHBondContact O-CB 3.43Å; D51-N55 PolarHBondContact O-N 3Å; D51-N55 VanDerWaalsContact O-N 3.09Å; I53-N55 VanDerWaalsContact C-N 3.35Å; I53-N55 PolarHBondContact O-N 3.42Å; N55-K59 WeakPolarHBondContact O-CB 3.3Å; N55-K59 PolarHBondContact O-N 2.89Å
56L91.5Very high87.8Confident115 Ų115105.1 Ų105.160%0.60254%0.539SS*.Hα-helixtrans-63.7-47.4173.6-177.663.5000111.8K52 I53 L54 Q58 K59 V60K52-L56 WeakPolarHBondContact O-CB 3.41Å; K52-L56 PolarHBondContact O-N 3.09Å; I53-L56 PolarHBondContact O-N 3.34Å; L54-L56 PolarHBondContact O-N 3.04Å; L56-Q58 PolarHBondContact O-N 3.48Å; L56-K59 PolarHBondContact O-N 3.23Å; L56-V60 WeakPolarHBondContact O-CG2 3.49Å; L56-V60 PolarHBondContact O-N 2.99Å
57T90.7Very high88.5Confident76 Ų76105.7 Ų105.747%0.46654%0.542SS..Hα-helixtrans-57.8-47.4177-60.70000111.2I53 L54 K59 V60 C61I53-T57 PolarHBondContact O-N 3.12Å; I53-T57 PolarHBondContact O-OG1 2.88Å; I53-T57 VanDerWaalsContact O-OG1 3.08Å; L54-T57 PolarHBondContact O-N 3.23Å; T57-K59 VanDerWaalsContact C-N 3.31Å; T57-K59 PolarHBondContact O-N 3.28Å; T57-V60 PolarHBondContact O-N 3.47Å; T57-C61 PolarHBondContact O-N 3.45Å; T57-C61 PolarHBondContact O-SG 3.33Å; T57-C61 VanDerWaalsContact O-SG 3.33Å
58Q93.6Very high89Confident130 Ų130108.6 Ų108.661%0.60755%0.547SS*.Hα-helixtrans-63-37.4178-169.117211.300112L54 L56 C61 N62L54-Q58 WeakPolarHBondContact O-CB 3.35Å; L54-Q58 PolarHBondContact O-N 2.98Å; L56-Q58 PolarHBondContact O-N 3.48Å; Q58-C61 PolarHBondContact O-N 2.88Å; Q58-N62 WeakPolarHBondContact O-CB 3.38Å; Q58-N62 PolarHBondContact O-N 3.17Å; Q58-N62 PolarHBondContact O-OD1 3.08Å
59K93.9Very high89.2Confident150 Ų150106.9 Ų106.965%0.65255%0.545SS*.Hα-helixtrans-67-37.2174.6-165.1172.7-176178.40112.5N55 L56 T57 M63N55-K59 WeakPolarHBondContact O-CB 3.3Å; N55-K59 PolarHBondContact O-N 2.89Å; L56-K59 PolarHBondContact O-N 3.23Å; T57-K59 VanDerWaalsContact C-N 3.31Å; T57-K59 PolarHBondContact O-N 3.28Å; K59-M63 WeakPolarHBondContact O-CB 3.46Å; K59-M63 PolarHBondContact O-N 3.07Å; K59-M63 VanDerWaalsContact O-N 3.07Å
60V93.5Very high89Confident66 Ų66107.6 Ų107.640%0.454%0.542SS..Hα-helixtrans-67.1-44.9173.6171.40000111.1L56 T57 N62 M63 V64L56-V60 WeakPolarHBondContact O-CG2 3.49Å; L56-V60 PolarHBondContact O-N 2.99Å; T57-V60 PolarHBondContact O-N 3.47Å; V60-N62 PolarHBondContact O-N 2.89Å; V60-M63 PolarHBondContact O-N 2.95Å; V60-V64 HydrophobicContact CG1-CG2 4.39Å; V60-V64 WeakPolarHBondContact O-CG2 3.43Å; V60-V64 PolarHBondContact O-N 3.17Å
61C93.7Very high88.3Confident66 Ų66106.2 Ų106.245%0.44654%0.541SS..Hα-helixtrans-57.3-49.4174.4-67.30000111.7T57 Q58 M63 V64 D65T57-C61 PolarHBondContact O-N 3.45Å; T57-C61 PolarHBondContact O-SG 3.33Å; T57-C61 VanDerWaalsContact O-SG 3.33Å; Q58-C61 PolarHBondContact O-N 2.88Å; C61-M63 VanDerWaalsContact C-N 3.26Å; C61-M63 PolarHBondContact O-N 3.39Å; C61-V64 PolarHBondContact O-N 3.18Å; C61-D65 PolarHBondContact O-N 3.01Å
62N93.9Very high87.4Confident102 Ų102110.1 Ų110.155%0.54555%0.549SS..Hα-helixtrans-58.9-36.4177.3-70.7-9.9000112.6Q58 V60 A66Q58-N62 WeakPolarHBondContact O-CB 3.38Å; Q58-N62 PolarHBondContact O-N 3.17Å; Q58-N62 PolarHBondContact O-OD1 3.08Å; V60-N62 PolarHBondContact O-N 2.89Å; N62-A66 WeakPolarHBondContact O-CB 3.4Å; N62-A66 PolarHBondContact O-N 2.86Å
63M91.4Very high86.1Confident125 Ų125106.9 Ų106.962%0.61655%0.547SS*.Hα-helixtrans-71.2-43.6177.6-174.4168.965.300111.9K59 V60 C61 A66 D67K59-M63 WeakPolarHBondContact O-CB 3.46Å; K59-M63 PolarHBondContact O-N 3.07Å; K59-M63 VanDerWaalsContact O-N 3.07Å; V60-M63 PolarHBondContact O-N 2.95Å; C61-M63 VanDerWaalsContact C-N 3.26Å; C61-M63 PolarHBondContact O-N 3.39Å; M63-A66 PolarHBondContact O-N 3.42Å; M63-D67 PolarHBondContact O-N 3.29Å
64V91.7Very high84.7Confident82 Ų82107.5 Ų107.550%0.49755%0.547SS..Hα-helixtrans-62.7-41.3174.4171.10000111.1V60 C61 D67 K68V60-V64 HydrophobicContact CG1-CG2 4.39Å; V60-V64 WeakPolarHBondContact O-CG2 3.43Å; V60-V64 PolarHBondContact O-N 3.17Å; C61-V64 PolarHBondContact O-N 3.18Å; V64-D67 PolarHBondContact O-N 2.88Å; V64-K68 WeakPolarHBondContact O-CB 3.21Å; V64-K68 PolarHBondContact O-N 2.97Å
65D89.4Confident83Confident81 Ų81110.9 Ų110.943%0.43355%0.552SS.*Hα-helixtrans-70.8-30.8176.4-81.6-32.8000113.1C61 K69C61-D65 PolarHBondContact O-N 3.01Å; D65-K69 WeakPolarHBondContact O-CB 3.37Å; D65-K69 WeakPolarHBondContact O-CG 3.4Å; D65-K69 PolarHBondContact O-N 2.9Å
66A87.1Confident81.1Confident56 Ų56112.5 Ų112.546%0.46356%0.556SS.*Hα-helixtrans-65.8-46.7171.100000111.2N62 M63 K68 K69 R70N62-A66 WeakPolarHBondContact O-CB 3.4Å; N62-A66 PolarHBondContact O-N 2.86Å; M63-A66 PolarHBondContact O-N 3.42Å; A66-K68 VanDerWaalsContact C-N 3.34Å; A66-K68 PolarHBondContact O-N 3.47Å; A66-K69 WeakPolarHBondContact O-CB 3.12Å; A66-K69 PolarHBondContact O-N 3.13Å; A66-R70 PolarHBondContact O-N 3.14Å
67D84.8Confident79.5Confident93 Ų93116.9 Ų116.950%0.49757%0.57SS.*Hα-helixtrans-68.8-33.7179.9-157.751.6000112.2M63 V64 R70 N71M63-D67 PolarHBondContact O-N 3.29Å; V64-D67 PolarHBondContact O-N 2.88Å; D67-R70 WeakPolarHBondContact O-CB 3.46Å; D67-R70 PolarHBondContact O-N 2.97Å; D67-N71 WeakPolarHBondContact O-CB 3.42Å; D67-N71 PolarHBondContact O-N 2.92Å; D67-N71 PolarHBondContact O-ND2 3.18Å
68K85.8Confident77.9Confident119 Ų119119.6 Ų119.652%0.51758%0.581SS.*Hα-helixtrans-72.4-25.7172.1-167.2174.2-173176.20113.4V64 A66 R72V64-K68 WeakPolarHBondContact O-CB 3.21Å; V64-K68 PolarHBondContact O-N 2.97Å; A66-K68 VanDerWaalsContact C-N 3.34Å; A66-K68 PolarHBondContact O-N 3.47Å; K68-R72 VanDerWaalsContact O-CG 3.31Å; K68-R72 WeakPolarHBondContact O-CG 3.42Å
69K82.6Confident76.2Confident150 Ų150123 Ų12365%0.65259%0.594SS**Hα-helixtrans-74.3-42.7167.5-79.3169-178.41760111D65 A66 R72 S73D65-K69 WeakPolarHBondContact O-CB 3.37Å; D65-K69 WeakPolarHBondContact O-CG 3.4Å; D65-K69 PolarHBondContact O-N 2.9Å; A66-K69 WeakPolarHBondContact O-CB 3.12Å; A66-K69 PolarHBondContact O-N 3.13Å; K69-R72 WeakPolarHBondContact O-CA 3.45Å; K69-R72 WeakPolarHBondContact O-CB 3.12Å; K69-R72 PolarHBondContact O-N 3.22Å; K69-S73 PolarHBondContact O-N 3.35Å; K69-S73 PolarHBondContact O-OG 2.97Å
70R75.6Confident74.3Confident141 Ų141123.4 Ų123.453%0.53260%0.603SS.*Hα-helixtrans-56.7-52.3173.7-176.1174.2-178.8172.15.3111.1A66 D67 R72 S73 E74A66-R70 PolarHBondContact O-N 3.14Å; D67-R70 WeakPolarHBondContact O-CB 3.46Å; D67-R70 PolarHBondContact O-N 2.97Å; R70-R72 PolarHBondContact O-N 2.9Å; R70-S73 PolarHBondContact O-N 2.88Å; R70-S73 VanDerWaalsContact O-N 3.14Å; R70-S73 PolarHBondContact O-OG 2.89Å; R70-S73 VanDerWaalsContact O-OG 3.13Å; R70-E74 WeakPolarHBondContact CG-OE2 3.31Å; R70-E74 IonicContact CZ-OE1 3.42Å; R70-E74 IonicContact CZ-OE2 2.65Å; R70-E74 IonicContact NE-OE1 3.21Å; R70-E74 IonicContact NE-OE2 3.59Å; R70-E74 PolarHBondContact NE-OE2 2.88Å; R70-E74 IonicContact NH2-OE1 3.49Å; R70-E74 PolarHBondContact NH2-OE1 3.05Å; R70-E74 IonicContact NH2-OE2 2.75Å; R70-E74 PolarHBondContact NH2-OE2 3.36Å; R70-E74 VanDerWaalsContact O-CB 3.3Å; R70-E74 WeakPolarHBondContact O-CB 3.45Å; R70-E74 PolarHBondContact O-N 2.91Å
71N69.6Low72.5Confident101 Ų101121 Ų12154%0.5459%0.59SS.*Hα-helixtrans-62.3-0.1172.3-81.3-83.6000115.6D67 R75D67-N71 WeakPolarHBondContact O-CB 3.42Å; D67-N71 PolarHBondContact O-N 2.92Å; D67-N71 PolarHBondContact O-ND2 3.18Å; N71-R75 WeakPolarHBondContact O-CG 3.4Å; N71-R75 PolarHBondContact O-NE 2.71Å
72R67.8Low71.2Confident170 Ų170122.4 Ų122.464%0.64260%0.6SS**Hα-helixtrans-108.7-36.4171.4-78.6175.6171.4-160-3.2112.8K68 K69 R70 R75K68-R72 VanDerWaalsContact O-CG 3.31Å; K68-R72 WeakPolarHBondContact O-CG 3.42Å; K69-R72 WeakPolarHBondContact O-CA 3.45Å; K69-R72 WeakPolarHBondContact O-CB 3.12Å; K69-R72 PolarHBondContact O-N 3.22Å; R70-R72 PolarHBondContact O-N 2.9Å; R72-R75 WeakPolarHBondContact O-CB 3.3Å; R72-R75 WeakPolarHBondContact O-CG 3.49Å
73S61.2Low70.3Confident93 Ų93119.4 Ų119.465%0.6559%0.587SS**Hα-helixtrans-76.8-37174.349.50000112.5K69 R70 R75K69-S73 PolarHBondContact O-N 3.35Å; K69-S73 PolarHBondContact O-OG 2.97Å; R70-S73 PolarHBondContact O-N 2.88Å; R70-S73 VanDerWaalsContact O-N 3.14Å; R70-S73 PolarHBondContact O-OG 2.89Å; R70-S73 VanDerWaalsContact O-OG 3.13Å; S73-R75 PolarHBondContact O-N 3.44Å
74E59Low69.3Low112 Ų112116.6 Ų116.652%0.52359%0.59SS.*SBendtrans-77.714.4179.5-138.7154.9-16200112.1R70 H76R70-E74 WeakPolarHBondContact CG-OE2 3.31Å; R70-E74 IonicContact CZ-OE1 3.42Å; R70-E74 IonicContact CZ-OE2 2.65Å; R70-E74 IonicContact NE-OE1 3.21Å; R70-E74 IonicContact NE-OE2 3.59Å; R70-E74 PolarHBondContact NE-OE2 2.88Å; R70-E74 IonicContact NH2-OE1 3.49Å; R70-E74 PolarHBondContact NH2-OE1 3.05Å; R70-E74 IonicContact NH2-OE2 2.75Å; R70-E74 PolarHBondContact NH2-OE2 3.36Å; R70-E74 VanDerWaalsContact O-CB 3.3Å; R70-E74 WeakPolarHBondContact O-CB 3.45Å; R70-E74 PolarHBondContact O-N 2.91Å; E74-H76 PolarHBondContact O-N 2.93Å
75R53Low68.4Low188 Ų188114.2 Ų114.271%0.70958%0.577SS**  trans-75.648.7173.3-71.3-176167.3-150-10.9112.9N71 R72 S73N71-R75 WeakPolarHBondContact O-CG 3.4Å; N71-R75 PolarHBondContact O-NE 2.71Å; R72-R75 WeakPolarHBondContact O-CB 3.3Å; R72-R75 WeakPolarHBondContact O-CG 3.49Å; S73-R75 PolarHBondContact O-N 3.44Å
76H53.5Low67.6Low147 Ų147116 Ų11668%0.68159%0.593SS**  trans-60.3140.2151.8-75.8-98.1000108E74 N78E74-H76 PolarHBondContact O-N 2.93Å; H76-N78 PolarHBondContact O-N 2.97Å
77K56.8Low66.8Low207 Ų207123.5 Ų123.590%0.961%0.611SS**  trans-78.351.1-175-66.1179.4-178.3173.50111.5K79K77-K79 PolarHBondContact O-N 2.81Å
78N57.9Low66.1Low132 Ų132123.5 Ų123.571%0.70661%0.611SS**  trans-67.5101171.8-61.610.8000105.8H76 L80H76-N78 PolarHBondContact O-N 2.97Å; N78-L80 PolarHBondContact O-N 3.14Å
79K58.1Low66Low201 Ų201119.4 Ų119.487%0.87460%0.597SS**PPolyproline II helixtrans-52.2124.3165.4-71.2179.5177.4178.50106.1K77 A81K77-K79 PolarHBondContact O-N 2.81Å; K79-A81 PolarHBondContact O-N 3.17Å; K79-A81 VanDerWaalsContact O-N 3.14Å
80L54.3Low66.1Low159 Ų159114.1 Ų114.183%0.83257%0.574SS**PPolyproline II helixtrans-61.7120.9164.1-77.882.1000106.1N78N78-L80 PolarHBondContact O-N 3.14Å
81A54.2Low66.5Low16 Ų16112.8 Ų112.813%0.13258%0.578CS.*PPolyproline II helixtrans-57.7142.4169.100000108.6K79 C83 G84 N88K79-A81 PolarHBondContact O-N 3.17Å; K79-A81 VanDerWaalsContact O-N 3.14Å; A81-C83 WeakPolarHBondContact CB-SG 3.13Å; A81-C83 PolarHBondContact O-N 3.3Å; A81-G84 PolarHBondContact O-N 3.26Å; A81-N88 HydrophobicContact CB-CB 4.38Å; A81-N88 WeakPolarHBondContact CB-OD1 3.27Å
82S67.8Low67.3Low95 Ų95114.3 Ų114.366%0.66458%0.582SS**THydrogen-bonded Turntrans-69.2-20.5-16994.50000112.5G84 E90S82-G84 PolarHBondContact O-N 3.31Å; S82-G84 VanDerWaalsContact O-N 3.09Å; S82-E90 VanDerWaalsContact CA-OE2 3.27Å; S82-E90 WeakPolarHBondContact CA-OE2 3.38Å; S82-E90 WeakPolarHBondContact CB-OE2 3.49Å; S82-E90 PolarHBondContact N-OE2 2.05Å; S82-E90 PolarHBondContact OG-OE1 3.09Å; S82-E90 PolarHBondContact OG-OE2 3.16Å
83C75.1Confident68.2Low40 Ų40108.5 Ų108.527%0.2756%0.563SS.*THydrogen-bonded Turntrans-51.4-19.6162.966.10000115.4A81 C85 E90 I93A81-C83 WeakPolarHBondContact CB-SG 3.13Å; A81-C83 PolarHBondContact O-N 3.3Å; C83-C85 HydrophobicContact CB-CB 3.86Å; C83-C85 WeakPolarHBondContact CB-SG 3.13Å; C83-C85 PolarHBondContact O-N 3.15Å; C83-C85 WeakPolarHBondContact SG-CB 3.4Å; C83-C85 PolarHBondContact SG-N 3.48Å; C83-C85 CovalentContact SG-SG 2.05Å; C83-C85 PolarHBondContact SG-SG 3.09Å; C83-E90 PolarHBondContact N-OE2 2.99Å; C83-E90 VanDerWaalsContact N-OE2 3.09Å; C83-I93 HydrophobicContact CB-CD1 3.68Å
84G69Low69.5Low65 Ų65108.1 Ų108.167%0.6755%0.553SS**  trans67.510.9-17100000114.2A81 S82A81-G84 PolarHBondContact O-N 3.26Å; S82-G84 PolarHBondContact O-N 3.31Å; S82-G84 VanDerWaalsContact O-N 3.09Å
85C73.6Confident71Confident33 Ų33105.7 Ų105.722%0.22355%0.552CS.*  trans-101.4144.2-168.8710000112C83 Y87 C89C83-C85 HydrophobicContact CB-CB 3.86Å; C83-C85 WeakPolarHBondContact CB-SG 3.13Å; C83-C85 PolarHBondContact O-N 3.15Å; C83-C85 WeakPolarHBondContact SG-CB 3.4Å; C83-C85 PolarHBondContact SG-N 3.48Å; C83-C85 CovalentContact SG-SG 2.05Å; C83-C85 PolarHBondContact SG-SG 3.09Å; C85-Y87 PolarHBondContact O-N 2.88Å; C85-C89 PolarHBondContact SG-N 2.97Å; C85-C89 PolarHBondContact SG-SG 3.17Å
86P71.8Confident72.8Confident119 Ų119102 Ų10277%0.77355%0.545SS*.THydrogen-bonded Turntrans-72.5-11.9-177.429-35000114.3
87Y70.8Confident74.4Confident213 Ų213101 Ų10184%0.83554%0.536SS*.THydrogen-bonded Turntrans-104.87.8-173.3-60.3-63000114.9C85 C89C85-Y87 PolarHBondContact O-N 2.88Å; Y87-C89 VanDerWaalsContact C-N 3.35Å; Y87-C89 PolarHBondContact O-N 3.22Å
88N70.3Confident75.9Confident93 Ų9395.4 Ų95.450%0.49752%0.516SS..  trans55.638.4175.7-169.465.2000115A81 E90A81-N88 HydrophobicContact CB-CB 4.38Å; A81-N88 WeakPolarHBondContact CB-OD1 3.27Å; N88-E90 PolarHBondContact O-N 3.21Å
89C84.1Confident77.5Confident33 Ų3391.9 Ų91.922%0.22350%0.502CS..THydrogen-bonded Turntrans-72.926.4178.4680000114.8C85 Y87 D91 E92 I93C85-C89 PolarHBondContact SG-N 2.97Å; C85-C89 PolarHBondContact SG-SG 3.17Å; Y87-C89 VanDerWaalsContact C-N 3.35Å; Y87-C89 PolarHBondContact O-N 3.22Å; C89-D91 VanDerWaalsContact C-N 3.29Å; C89-D91 PolarHBondContact O-N 3.47Å; C89-E92 HydrophobicContact CB-CB 4.19Å; C89-E92 HydrophobicContact CB-CG 4.33Å; C89-E92 WeakPolarHBondContact CB-OE2 3.29Å; C89-E92 PolarHBondContact O-N 3.48Å; C89-I93 WeakPolarHBondContact O-CB 3.44Å; C89-I93 VanDerWaalsContact O-CG1 3.25Å; C89-I93 WeakPolarHBondContact O-CG1 3.21Å; C89-I93 PolarHBondContact O-N 2.86Å
90E84.4Confident78.9Confident38 Ų3887.5 Ų87.518%0.17849%0.486CS..Hα-helixtrans-62.5-38.1177.3-16670.2-129.200111.3S82 C83 N88 I93 L94 R97S82-E90 VanDerWaalsContact CA-OE2 3.27Å; S82-E90 WeakPolarHBondContact CA-OE2 3.38Å; S82-E90 WeakPolarHBondContact CB-OE2 3.49Å; S82-E90 PolarHBondContact N-OE2 2.05Å; S82-E90 PolarHBondContact OG-OE1 3.09Å; S82-E90 PolarHBondContact OG-OE2 3.16Å; C83-E90 PolarHBondContact N-OE2 2.99Å; C83-E90 VanDerWaalsContact N-OE2 3.09Å; N88-E90 PolarHBondContact O-N 3.21Å; E90-I93 PolarHBondContact O-N 2.93Å; E90-L94 VanDerWaalsContact O-CB 3.31Å; E90-L94 WeakPolarHBondContact O-CB 3.49Å; E90-L94 PolarHBondContact O-N 3.32Å; E90-R97 IonicContact OE1-CZ 2.66Å; E90-R97 IonicContact OE1-NH1 2.92Å; E90-R97 PolarHBondContact OE1-NH1 2.58Å
91D84Confident80.3Confident114 Ų11483.8 Ų83.861%0.6147%0.465SS*.Hα-helixtrans-68.1-37.7178.1-61-49.7000112C89 L94 A95C89-D91 VanDerWaalsContact C-N 3.29Å; C89-D91 PolarHBondContact O-N 3.47Å; D91-L94 PolarHBondContact O-N 2.67Å; D91-A95 WeakPolarHBondContact O-CB 3.22Å; D91-A95 PolarHBondContact O-N 3.46Å
92E86.7Confident81.6Confident133 Ų13388.6 Ų88.662%0.62149%0.488SS*.Hα-helixtrans-66.4-44.2173.4-60.9178.8165.700111.2C89 L94 A95 L96C89-E92 HydrophobicContact CB-CB 4.19Å; C89-E92 HydrophobicContact CB-CG 4.33Å; C89-E92 WeakPolarHBondContact CB-OE2 3.29Å; C89-E92 PolarHBondContact O-N 3.48Å; E92-L94 VanDerWaalsContact C-N 3.31Å; E92-L94 PolarHBondContact O-N 3.19Å; E92-A95 PolarHBondContact O-N 2.97Å; E92-L96 WeakPolarHBondContact O-CB 3.25Å; E92-L96 WeakPolarHBondContact O-CG 3.45Å; E92-L96 PolarHBondContact O-N 2.96Å
93I86.5Confident82.1Confident47 Ų4789.2 Ų89.224%0.24148%0.484CS..Hα-helixtrans-64.1-37.4175.5-68.6167.3000110.6C83 C89 E90 L96 R97C83-I93 HydrophobicContact CB-CD1 3.68Å; C89-I93 WeakPolarHBondContact O-CB 3.44Å; C89-I93 VanDerWaalsContact O-CG1 3.25Å; C89-I93 WeakPolarHBondContact O-CG1 3.21Å; C89-I93 PolarHBondContact O-N 2.86Å; E90-I93 PolarHBondContact O-N 2.93Å; I93-L96 PolarHBondContact O-N 3.42Å; I93-R97 HydrophobicContact CG2-CG 4.46Å; I93-R97 WeakPolarHBondContact O-CB 3.17Å; I93-R97 WeakPolarHBondContact O-CG 3.4Å; I93-R97 PolarHBondContact O-N 3.49Å
94L88.6Confident82.1Confident86 Ų8694 Ų9445%0.4550%0.496SS..Hα-helixtrans-65.5-44.8174.6-165.480.2000111.1E90 D91 E92 L96 R97 N98E90-L94 VanDerWaalsContact O-CB 3.31Å; E90-L94 WeakPolarHBondContact O-CB 3.49Å; E90-L94 PolarHBondContact O-N 3.32Å; D91-L94 PolarHBondContact O-N 2.67Å; E92-L94 VanDerWaalsContact C-N 3.31Å; E92-L94 PolarHBondContact O-N 3.19Å; L94-L96 PolarHBondContact O-N 3.29Å; L94-R97 PolarHBondContact O-N 2.76Å; L94-N98 WeakPolarHBondContact O-CB 3.3Å; L94-N98 PolarHBondContact O-N 3.09Å; L94-N98 PolarHBondContact O-ND2 3.5Å
95A90.5Very high82.1Confident60 Ų6094.1 Ų94.150%0.49649%0.486SS..Hα-helixtrans-61-43.1175.300000111.9D91 E92 N98 S99D91-A95 WeakPolarHBondContact O-CB 3.22Å; D91-A95 PolarHBondContact O-N 3.46Å; E92-A95 PolarHBondContact O-N 2.97Å; A95-N98 PolarHBondContact O-N 3.13Å; A95-S99 WeakPolarHBondContact O-CB 3.46Å; A95-S99 PolarHBondContact O-N 3.02Å
96L89.8Confident81.5Confident110 Ų11094.8 Ų94.858%0.57650%0.499SS*.Hα-helixtrans-64.4-44.1174.8-72.7169.2000112.2E92 I93 L94 N98 S99 I100E92-L96 WeakPolarHBondContact O-CB 3.25Å; E92-L96 WeakPolarHBondContact O-CG 3.45Å; E92-L96 PolarHBondContact O-N 2.96Å; I93-L96 PolarHBondContact O-N 3.42Å; L94-L96 PolarHBondContact O-N 3.29Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 3.45Å; L96-S99 PolarHBondContact O-N 3.1Å; L96-I100 WeakPolarHBondContact O-CB 3.31Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.41Å; L96-I100 PolarHBondContact O-N 3.46Å
97R89Confident80.9Confident127 Ų12794.8 Ų94.848%0.47949%0.492SS..Hα-helixtrans-57.7-45.7173.9-75.7166.6179.71490.8111.3E90 I93 L94 I100 E101E90-R97 IonicContact OE1-CZ 2.66Å; E90-R97 IonicContact OE1-NH1 2.92Å; E90-R97 PolarHBondContact OE1-NH1 2.58Å; I93-R97 HydrophobicContact CG2-CG 4.46Å; I93-R97 WeakPolarHBondContact O-CB 3.17Å; I93-R97 WeakPolarHBondContact O-CG 3.4Å; I93-R97 PolarHBondContact O-N 3.49Å; L94-R97 PolarHBondContact O-N 2.76Å; R97-I100 PolarHBondContact O-N 3.21Å; R97-E101 PolarHBondContact O-N 3.41Å
98N88.3Confident80.1Confident89 Ų8987.1 Ų87.148%0.47647%0.47SS..Hα-helixtrans-64.7-41.6177.7-67.9-18.2000111.9L94 A95 L96 E101 N102L94-N98 WeakPolarHBondContact O-CB 3.3Å; L94-N98 PolarHBondContact O-N 3.09Å; L94-N98 PolarHBondContact O-ND2 3.5Å; A95-N98 PolarHBondContact O-N 3.13Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 3.45Å; N98-E101 PolarHBondContact O-N 2.8Å; N98-N102 WeakPolarHBondContact O-CB 3.21Å; N98-N102 PolarHBondContact O-N 3.15Å; N98-N102 PolarHBondContact O-ND2 3.46Å
99S91.1Very high79.1Confident59 Ų5990.1 Ų90.141%0.41349%0.485SS..Hα-helixtrans-61.8-43.9174.9-169.90000111.9A95 L96 N102 L103A95-S99 WeakPolarHBondContact O-CB 3.46Å; A95-S99 PolarHBondContact O-N 3.02Å; L96-S99 PolarHBondContact O-N 3.1Å; S99-N102 PolarHBondContact O-N 2.92Å; S99-L103 WeakPolarHBondContact O-CB 3.4Å; S99-L103 WeakPolarHBondContact O-CG 3.46Å; S99-L103 PolarHBondContact O-N 3.29Å
100I87.3Confident77.6Confident108 Ų10892.8 Ų92.855%0.55450%0.503SS*.Hα-helixtrans-63.6-42.1176.7-70165000111.3L96 R97 L103 R104L96-I100 WeakPolarHBondContact O-CB 3.31Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.41Å; L96-I100 PolarHBondContact O-N 3.46Å; R97-I100 PolarHBondContact O-N 3.21Å; I100-L103 PolarHBondContact O-N 2.89Å; I100-R104 VanDerWaalsContact O-CB 3.28Å; I100-R104 WeakPolarHBondContact O-CB 3.33Å; I100-R104 PolarHBondContact O-N 3.39Å
101E83.9Confident76.1Confident81 Ų8198.5 Ų98.538%0.37953%0.529SS..Hα-helixtrans-72.5-32.7179.7-170.361.8-171.800112.6R97 N98 R104 S105R97-E101 PolarHBondContact O-N 3.41Å; N98-E101 PolarHBondContact O-N 2.8Å; E101-R104 PolarHBondContact O-N 2.88Å; E101-R104 IonicContact OE1-CZ 3.6Å; E101-R104 IonicContact OE1-NE 2.99Å; E101-R104 IonicContact OE1-NH2 3.62Å; E101-R104 PolarHBondContact OE1-NH2 3.43Å; E101-R104 IonicContact OE2-CZ 2.64Å; E101-R104 IonicContact OE2-NE 3.99Å; E101-R104 PolarHBondContact OE2-NE 3.2Å; E101-R104 IonicContact OE2-NH2 2.93Å; E101-R104 PolarHBondContact OE2-NH2 2.86Å; E101-S105 WeakPolarHBondContact O-CB 3.35Å; E101-S105 PolarHBondContact O-N 3.43Å; E101-S105 PolarHBondContact O-OG 2.96Å
102N81.4Confident74.6Confident117 Ų117100.9 Ų100.963%0.62653%0.534SS*.Hα-helixtrans-63-47.2169.8-72.7-19.6000111.3N98 S99 S105 G106N98-N102 WeakPolarHBondContact O-CB 3.21Å; N98-N102 PolarHBondContact O-N 3.15Å; N98-N102 PolarHBondContact O-ND2 3.46Å; S99-N102 PolarHBondContact O-N 2.92Å; N102-S105 WeakPolarHBondContact O-CB 3.48Å; N102-S105 PolarHBondContact O-N 3.3Å; N102-G106 PolarHBondContact O-N 3.39Å
103L78.6Confident73.2Confident108 Ų108103.4 Ų103.457%0.56555%0.546SS*.Hα-helixtrans-61.4-43.4174.1-72.4169.1000111.5S99 I100 S105 G106 L107S99-L103 WeakPolarHBondContact O-CB 3.4Å; S99-L103 WeakPolarHBondContact O-CG 3.46Å; S99-L103 PolarHBondContact O-N 3.29Å; I100-L103 PolarHBondContact O-N 2.89Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 2.88Å; L103-G106 PolarHBondContact O-N 2.88Å; L103-L107 WeakPolarHBondContact O-CB 3.28Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.49Å
104R74.5Confident72.1Confident141 Ų141107.2 Ų107.253%0.53256%0.557SS.*Hα-helixtrans-64.3-35.3177.8-163.5176.275.584.84.5111.8I100 E101 S108I100-R104 VanDerWaalsContact O-CB 3.28Å; I100-R104 WeakPolarHBondContact O-CB 3.33Å; I100-R104 PolarHBondContact O-N 3.39Å; E101-R104 PolarHBondContact O-N 2.88Å; E101-R104 IonicContact OE1-CZ 3.6Å; E101-R104 IonicContact OE1-NE 2.99Å; E101-R104 IonicContact OE1-NH2 3.62Å; E101-R104 PolarHBondContact OE1-NH2 3.43Å; E101-R104 IonicContact OE2-CZ 2.64Å; E101-R104 IonicContact OE2-NE 3.99Å; E101-R104 PolarHBondContact OE2-NE 3.2Å; E101-R104 IonicContact OE2-NH2 2.93Å; E101-R104 PolarHBondContact OE2-NH2 2.86Å; R104-S108 WeakPolarHBondContact O-CB 3.33Å; R104-S108 PolarHBondContact O-N 2.76Å
105S68.3Low71.3Confident67 Ų67107 Ų10747%0.46956%0.561SS.*Hα-helixtrans-65.2-48.9174-60.30000111.3E101 N102 L103 S108 L109E101-S105 WeakPolarHBondContact O-CB 3.35Å; E101-S105 PolarHBondContact O-N 3.43Å; E101-S105 PolarHBondContact O-OG 2.96Å; N102-S105 WeakPolarHBondContact O-CB 3.48Å; N102-S105 PolarHBondContact O-N 3.3Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 2.88Å; S105-S108 PolarHBondContact O-N 3.33Å; S105-L109 WeakPolarHBondContact O-CB 3.45Å; S105-L109 PolarHBondContact O-N 2.93Å; S105-L109 VanDerWaalsContact O-N 3.1Å
106G60.9Low70.6Confident47 Ų47112.3 Ų112.349%0.48558%0.579SS.*Hα-helixtrans-60.4-47175.800000113.1N102 L103 L109 C110N102-G106 PolarHBondContact O-N 3.39Å; L103-G106 PolarHBondContact O-N 2.88Å; G106-L109 PolarHBondContact O-N 3.5Å; G106-C110 WeakPolarHBondContact O-CB 3.46Å; G106-C110 PolarHBondContact O-N 3.21Å
107L59.6Low70.4Confident119 Ų119111.5 Ų111.562%0.62357%0.571SS**Hα-helixtrans-67-37.6178.6-68.8170.8000112.8L103 C110L103-L107 WeakPolarHBondContact O-CB 3.28Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.49Å; L107-C110 PolarHBondContact O-N 3.16Å
108S53.4Low70.4Confident53 Ų53112.5 Ų112.537%0.37158%0.581SS.*Hα-helixtrans-71.7-31.9180-165.50000112.5R104 S105R104-S108 WeakPolarHBondContact O-CB 3.33Å; R104-S108 PolarHBondContact O-N 2.76Å; S105-S108 PolarHBondContact O-N 3.33Å
109L51Low70.5Confident156 Ų156110.8 Ų110.882%0.81757%0.572SS**Hα-helixtrans-72.1-31.3176-161.272.3000112S105 G106S105-L109 WeakPolarHBondContact O-CB 3.45Å; S105-L109 PolarHBondContact O-N 2.93Å; S105-L109 VanDerWaalsContact O-N 3.1Å; G106-L109 PolarHBondContact O-N 3.5Å
110C51.3Low70.5Confident89 Ų89111.2 Ų111.260%0.60157%0.57SS**Hα-helixtrans-76-24.3-171.5-166.30000114.9G106 L107G106-C110 WeakPolarHBondContact O-CB 3.46Å; G106-C110 PolarHBondContact O-N 3.21Å; L107-C110 PolarHBondContact O-N 3.16Å
111H53.5Low70.7Confident157 Ų157111.2 Ų111.273%0.72757%0.567SS**Hα-helixtrans-133.43.9-162.1-74.57000116.7
112K52.9Low71.1Confident165 Ų165108 Ų10872%0.71755%0.552SS**SBendtrans-120-16.8-166-72.5-167.1172.1-175.70119.2
113E56.6Low71.6Confident186 Ų186102.6 Ų102.687%0.86952%0.523SS*.SBendtrans-133.6-4.9-173.7-65-173.1167.100115.3P115E113-P115 WeakPolarHBondContact O-CD 3.28Å
114R64.2Low72.2Confident126 Ų126103.9 Ų103.948%0.47553%0.53SS..PPolyproline II helixtrans-78.1123.6177.6-167.9173.3178.6-159.8-0.5110.1E132R114-E132 IonicContact CZ-OE1 3.46Å; R114-E132 IonicContact CZ-OE2 2.67Å; R114-E132 IonicContact NH1-OE1 3.15Å; R114-E132 PolarHBondContact NH1-OE1 3.41Å; R114-E132 IonicContact NH1-OE2 2.72Å; R114-E132 PolarHBondContact NH1-OE2 2.79Å; R114-E132 IonicContact NH2-OE1 2.76Å; R114-E132 PolarHBondContact NH2-OE1 3.45Å; R114-E132 IonicContact NH2-OE2 3.1Å
115P71.2Confident73Confident82 Ų82100.5 Ų100.553%0.53252%0.523SS..PPolyproline II helixtrans-60.6137.9172.322-30.6000110.7E113 F117E113-P115 WeakPolarHBondContact O-CD 3.28Å; P115-F117 HydrophobicContact CB-CE2 4.17Å; P115-F117 HydrophobicContact CB-CZ 4.08Å; P115-F117 HydrophobicContact CG-CE2 3.63Å; P115-F117 HydrophobicContact CG-CZ 3.64Å; P115-F117 WeakPolarHBondContact O-CD2 3.48Å
116I76.7Confident74.2Confident171 Ų17198.6 Ų98.688%0.87751%0.506SS*.PPolyproline II helixtrans-79.9120.8177.4-57.2174000107.9
117F84.2Confident75.6Confident93 Ų93100.8 Ų100.841%0.40850%0.501SS..  trans-110.7157.1175.4-61.3-75.4000110.8P115 H121 F122P115-F117 HydrophobicContact CB-CE2 4.17Å; P115-F117 HydrophobicContact CB-CZ 4.08Å; P115-F117 HydrophobicContact CG-CE2 3.63Å; P115-F117 HydrophobicContact CG-CZ 3.64Å; P115-F117 WeakPolarHBondContact O-CD2 3.48Å; F117-H121 HydrophobicContact CB-CB 3.77Å; F117-H121 HydrophobicContact CD1-CB 4.38Å; F117-H121 AromaticContact CD1-CD2 3.5Å; F117-H121 AromaticContact CD1-CG 3.88Å; F117-H121 AromaticContact CD1-NE2 3.96Å; F117-H121 AromaticContact CD2-CD2 3.47Å; F117-H121 VanDerWaalsContact CD2-CD2 3.47Å; F117-H121 WeakPolarHBondContact CD2-CD2 3.49Å; F117-H121 AromaticContact CE1-CD2 3.82Å; F117-H121 AromaticContact CE1-NE2 3.76Å; F117-H121 AromaticContact CE2-CD2 3.75Å; F117-H121 AromaticContact CE2-NE2 3.81Å; F117-H121 HydrophobicContact CG-CB 4.2Å; F117-H121 AromaticContact CG-CD2 3.31Å; F117-H121 WeakPolarHBondContact CG-CD2 3.33Å; F117-H121 AromaticContact CG-CG 3.9Å; F117-H121 AromaticContact CZ-CD2 3.92Å; F117-H121 AromaticContact CZ-NE2 3.67Å; F117-F122 HydrophobicContact CB-CE2 3.92Å; F117-F122 HydrophobicContact CB-CZ 3.9Å; F117-F122 HydrophobicContact CD2-CE1 4.36Å; F117-F122 AromaticContact CD2-CZ 3.79Å; F117-F122 HydrophobicContact CD2-CZ 3.79Å; F117-F122 HydrophobicContact CG-CZ 4.25Å
118Q89.9Confident77.1Confident149 Ų14998.9 Ų98.970%0.69649%0.489SS*.  trans-68.9153.9162.9-66.7176-106.400109.6D120 H121Q118-D120 PolarHBondContact O-N 3.34Å; Q118-D120 VanDerWaalsContact O-N 3.11Å; Q118-H121 WeakPolarHBondContact O-CB 3.43Å; Q118-H121 PolarHBondContact O-N 2.87Å
119L90.7Very high79Confident53 Ų5396.7 Ų96.728%0.27747%0.473SS..G310 helixtrans-56.1-30177.7-68.8176.8000112.2H121 F122 L129 E132 A133 L214L119-H121 PolarHBondContact O-N 3.2Å; L119-F122 PolarHBondContact O-N 3.4Å; L119-L129 HydrophobicContact CB-CD1 3.93Å; L119-L129 HydrophobicContact CD2-CD1 4.44Å; L119-L129 VanDerWaalsContact O-CD1 3.31Å; L119-L129 WeakPolarHBondContact O-CD1 3.48Å; L119-E132 HydrophobicContact CD2-CB 3.86Å; L119-A133 HydrophobicContact CD1-CB 4.34Å; L119-A133 HydrophobicContact CD2-CB 4.24Å; L119-L214 HydrophobicContact CB-CD1 4.47Å; L119-L214 HydrophobicContact CB-CD2 4.17Å; L119-L214 HydrophobicContact CD1-CD2 4.17Å
120D90.6Very high81Confident68 Ų6890.1 Ų90.136%0.36444%0.438SS..G310 helixtrans-57.7-20.9176.5-49.8-61.7000114.1Q118 F122 I123 L214Q118-D120 PolarHBondContact O-N 3.34Å; Q118-D120 VanDerWaalsContact O-N 3.11Å; D120-F122 PolarHBondContact O-N 3.23Å; D120-I123 HydrophobicContact CB-CD1 4.05Å; D120-I123 WeakPolarHBondContact O-CD1 3.21Å; D120-L214 WeakPolarHBondContact OD1-CB 3.47Å
121H91.2Very high83Confident107 Ų10787 Ų8750%0.49542%0.417SS..G310 helixtrans-69-23.5175.5-17545.2000113.1F117 Q118 L119F117-H121 HydrophobicContact CB-CB 3.77Å; F117-H121 HydrophobicContact CD1-CB 4.38Å; F117-H121 AromaticContact CD1-CD2 3.5Å; F117-H121 AromaticContact CD1-CG 3.88Å; F117-H121 AromaticContact CD1-NE2 3.96Å; F117-H121 AromaticContact CD2-CD2 3.47Å; F117-H121 VanDerWaalsContact CD2-CD2 3.47Å; F117-H121 WeakPolarHBondContact CD2-CD2 3.49Å; F117-H121 AromaticContact CE1-CD2 3.82Å; F117-H121 AromaticContact CE1-NE2 3.76Å; F117-H121 AromaticContact CE2-CD2 3.75Å; F117-H121 AromaticContact CE2-NE2 3.81Å; F117-H121 HydrophobicContact CG-CB 4.2Å; F117-H121 AromaticContact CG-CD2 3.31Å; F117-H121 WeakPolarHBondContact CG-CD2 3.33Å; F117-H121 AromaticContact CG-CG 3.9Å; F117-H121 AromaticContact CZ-CD2 3.92Å; F117-H121 AromaticContact CZ-NE2 3.67Å; Q118-H121 WeakPolarHBondContact O-CB 3.43Å; Q118-H121 PolarHBondContact O-N 2.87Å; L119-H121 PolarHBondContact O-N 3.2Å
122F91.6Very high84.7Confident13 Ų1380.9 Ų80.96%0.05739%0.389CS..G310 helixtrans-104.56.2-170.7-54.5-66.3000113.8F117 L119 D120 D124 D125 Q128 L129 E132F117-F122 HydrophobicContact CB-CE2 3.92Å; F117-F122 HydrophobicContact CB-CZ 3.9Å; F117-F122 HydrophobicContact CD2-CE1 4.36Å; F117-F122 AromaticContact CD2-CZ 3.79Å; F117-F122 HydrophobicContact CD2-CZ 3.79Å; F117-F122 HydrophobicContact CG-CZ 4.25Å; L119-F122 PolarHBondContact O-N 3.4Å; D120-F122 PolarHBondContact O-N 3.23Å; F122-D124 PolarHBondContact O-N 3.1Å; F122-D124 VanDerWaalsContact O-N 3.14Å; F122-D125 CarbonylContact O-C 3.26Å; F122-D125 VanDerWaalsContact O-C 3.26Å; F122-D125 PolarHBondContact O-N 3Å; F122-Q128 HydrophobicContact CD1-CB 4.3Å; F122-Q128 HydrophobicContact CD1-CG 3.54Å; F122-Q128 HydrophobicContact CE1-CG 3.91Å; F122-Q128 HydrophobicContact CG-CG 4.12Å; F122-L129 HydrophobicContact CB-CB 3.99Å; F122-L129 HydrophobicContact CB-CD1 4.31Å; F122-E132 HydrophobicContact CD2-CB 4.31Å; F122-E132 HydrophobicContact CD2-CG 3.86Å; F122-E132 HydrophobicContact CE1-CG 4.5Å; F122-E132 HydrophobicContact CE2-CB 4.22Å; F122-E132 HydrophobicContact CE2-CG 3.57Å; F122-E132 HydrophobicContact CG-CG 4.44Å; F122-E132 HydrophobicContact CZ-CG 3.89Å
123I92.3Very high86.6Confident4 Ų474 Ų742%0.02136%0.363CS..THydrogen-bonded Turntrans-60.6-29.6-173-60.7161.1000112.5D120 D125 H126 I207 I210 K211 L214D120-I123 HydrophobicContact CB-CD1 4.05Å; D120-I123 WeakPolarHBondContact O-CD1 3.21Å; I123-D125 PolarHBondContact O-N 3.35Å; I123-H126 PolarHBondContact O-CD2 3.33Å; I123-H126 VanDerWaalsContact O-CD2 3.29Å; I123-I207 HydrophobicContact CG2-CB 4.26Å; I123-I207 HydrophobicContact CG2-CG1 4.23Å; I123-I207 HydrophobicContact CG2-CG2 3.89Å; I123-I210 HydrophobicContact CG1-CG2 4.29Å; I123-I210 HydrophobicContact CG2-CB 4.14Å; I123-I210 HydrophobicContact CG2-CG2 3.9Å; I123-K211 HydrophobicContact CD1-CB 4.37Å; I123-K211 HydrophobicContact CD1-CD 4.31Å; I123-K211 HydrophobicContact CD1-CG 3.32Å; I123-K211 HydrophobicContact CG2-CG 4.47Å; I123-L214 HydrophobicContact CD1-CD1 4Å; I123-L214 HydrophobicContact CG1-CD1 3.77Å
124D91.1Very high88.3Confident135 Ų13565.6 Ų65.672%0.72232%0.323SS*.THydrogen-bonded Turntrans-74.2-10.5177.5-56.9-34.3000113.3F122F122-D124 PolarHBondContact O-N 3.1Å; F122-D124 VanDerWaalsContact O-N 3.14Å
125D91.8Very high89.5Confident71 Ų7163.6 Ų63.638%0.3832%0.321SS..  trans-130.895.6170.9179.21.4000110.8F122 I123 Y127 Q128 L129F122-D125 CarbonylContact O-C 3.26Å; F122-D125 VanDerWaalsContact O-C 3.26Å; F122-D125 PolarHBondContact O-N 3Å; I123-D125 PolarHBondContact O-N 3.35Å; D125-Y127 PolarHBondContact O-N 2.89Å; D125-Y127 VanDerWaalsContact O-N 3.11Å; D125-Y127 WeakPolarHBondContact OD1-CB 3.42Å; D125-Y127 PolarHBondContact OD1-N 3.28Å; D125-Q128 HydrophobicContact CB-CB 4.14Å; D125-Q128 PolarHBondContact O-N 2.89Å; D125-Q128 VanDerWaalsContact O-N 3.08Å; D125-Q128 PolarHBondContact OD1-N 3.39Å; D125-Q128 WeakPolarHBondContact OD2-CB 3.38Å; D125-L129 WeakPolarHBondContact O-CB 3.47Å; D125-L129 PolarHBondContact O-N 3.29Å
126H92.8Very high90.3Very high26 Ų2663.9 Ų63.912%0.1233%0.325CS..Hα-helixtrans-56.6-27.2179.3-59.7171000113.9I123 L130 L202 N203 I210I123-H126 PolarHBondContact O-CD2 3.33Å; I123-H126 VanDerWaalsContact O-CD2 3.29Å; H126-L130 WeakPolarHBondContact O-CB 3.32Å; H126-L130 PolarHBondContact O-N 2.81Å; H126-L202 HydrophobicContact CB-CB 4.19Å; H126-L202 HydrophobicContact CB-CD1 4.46Å; H126-L202 PolarHBondContact CE1-O 2.92Å; H126-L202 PolarHBondContact ND1-O 3.49Å; H126-N203 PolarHBondContact ND1-OD1 2.87Å; H126-I210 VanDerWaalsContact NE2-CD1 3.27Å; H126-I210 WeakPolarHBondContact NE2-CD1 3.49Å
127Y91.9Very high91Very high94 Ų9458.4 Ų58.437%0.36930%0.297SS..Hα-helixtrans-72.6-45176.2-65.3-84.1000111.6D125 S131 I175 I199D125-Y127 PolarHBondContact O-N 2.89Å; D125-Y127 VanDerWaalsContact O-N 3.11Å; D125-Y127 WeakPolarHBondContact OD1-CB 3.42Å; D125-Y127 PolarHBondContact OD1-N 3.28Å; Y127-S131 WeakPolarHBondContact O-CB 3.26Å; Y127-S131 PolarHBondContact O-N 3.46Å; Y127-I175 HydrophobicContact CD1-CD1 4.49Å; Y127-I175 HydrophobicContact CD1-CG2 3.63Å; Y127-I175 HydrophobicContact CE1-CD1 3.76Å; Y127-I175 HydrophobicContact CE1-CG1 4.35Å; Y127-I175 HydrophobicContact CE1-CG2 3.96Å; Y127-I199 HydrophobicContact CD1-CD1 3.55Å; Y127-I199 HydrophobicContact CD1-CG1 3.91Å; Y127-I199 HydrophobicContact CD1-CG2 4.14Å; Y127-I199 HydrophobicContact CE1-CB 4.31Å; Y127-I199 HydrophobicContact CE1-CD1 4.01Å; Y127-I199 HydrophobicContact CE1-CG1 3.94Å; Y127-I199 HydrophobicContact CE1-CG2 3.46Å; Y127-I199 VanDerWaalsContact CE1-CG2 3.46Å; Y127-I199 HydrophobicContact CE2-CG2 4.46Å; Y127-I199 HydrophobicContact CG-CD1 4.07Å
128Q90.8Very high91.2Very high78 Ų7854.8 Ų54.836%0.36429%0.287SS..Hα-helixtrans-68.6-40.6176.4-167.7162.862.900111F122 D125 L130 S131 E132F122-Q128 HydrophobicContact CD1-CB 4.3Å; F122-Q128 HydrophobicContact CD1-CG 3.54Å; F122-Q128 HydrophobicContact CE1-CG 3.91Å; F122-Q128 HydrophobicContact CG-CG 4.12Å; D125-Q128 HydrophobicContact CB-CB 4.14Å; D125-Q128 PolarHBondContact O-N 2.89Å; D125-Q128 VanDerWaalsContact O-N 3.08Å; D125-Q128 PolarHBondContact OD1-N 3.39Å; D125-Q128 WeakPolarHBondContact OD2-CB 3.38Å; Q128-L130 PolarHBondContact O-N 3.08Å; Q128-S131 WeakPolarHBondContact O-CB 3.28Å; Q128-S131 PolarHBondContact O-N 3.25Å; Q128-E132 HydrophobicContact CG-CG 4.43Å; Q128-E132 WeakPolarHBondContact O-CG 3.28Å; Q128-E132 PolarHBondContact O-N 3.19Å
129L93.3Very high91.1Very high8 Ų849.7 Ų49.74%0.04227%0.266CS..Hα-helixtrans-55.1-52.9173.5178.565.4000112.1L119 F122 D125 S131 A133 I210 L214L119-L129 HydrophobicContact CB-CD1 3.93Å; L119-L129 HydrophobicContact CD2-CD1 4.44Å; L119-L129 VanDerWaalsContact O-CD1 3.31Å; L119-L129 WeakPolarHBondContact O-CD1 3.48Å; F122-L129 HydrophobicContact CB-CB 3.99Å; F122-L129 HydrophobicContact CB-CD1 4.31Å; D125-L129 WeakPolarHBondContact O-CB 3.47Å; D125-L129 PolarHBondContact O-N 3.29Å; L129-S131 VanDerWaalsContact C-N 3.31Å; L129-S131 PolarHBondContact O-N 2.96Å; L129-A133 WeakPolarHBondContact O-CB 3.25Å; L129-A133 PolarHBondContact O-N 3.03Å; L129-I210 HydrophobicContact CD2-CG2 3.7Å; L129-L214 HydrophobicContact CD1-CD1 4.1Å
130L93.6Very high90.9Very high17 Ų1751 Ų519%0.08928%0.279CS..Hα-helixtrans-66.5-35.4179.9-168.571000111.6H126 Q128 A133 W134 W195 C198 I199 L202H126-L130 WeakPolarHBondContact O-CB 3.32Å; H126-L130 PolarHBondContact O-N 2.81Å; Q128-L130 PolarHBondContact O-N 3.08Å; L130-A133 PolarHBondContact O-N 2.97Å; L130-W134 WeakPolarHBondContact O-CB 3.48Å; L130-W134 VanDerWaalsContact O-CD1 3.31Å; L130-W134 PolarHBondContact O-N 3.39Å; L130-W195 HydrophobicContact CB-CH2 3.98Å; L130-W195 HydrophobicContact CB-CZ3 4.05Å; L130-W195 HydrophobicContact CD2-CD2 3.93Å; L130-W195 HydrophobicContact CD2-CE3 3.53Å; L130-W195 HydrophobicContact CD2-CH2 3.96Å; L130-W195 HydrophobicContact CD2-CZ2 4.32Å; L130-W195 HydrophobicContact CD2-CZ3 3.55Å; L130-W195 HydrophobicContact CG-CE3 4.02Å; L130-W195 HydrophobicContact CG-CH2 4.01Å; L130-W195 HydrophobicContact CG-CZ3 3.57Å; L130-C198 HydrophobicContact CD1-CB 3.87Å; L130-C198 HydrophobicContact CD2-CB 3.51Å; L130-C198 HydrophobicContact CG-CB 4.37Å; L130-I199 HydrophobicContact CB-CD1 3.87Å; L130-I199 HydrophobicContact CD2-CD1 3.51Å; L130-I199 HydrophobicContact CD2-CG1 3.7Å; L130-I199 HydrophobicContact CG-CD1 4.33Å; L130-L202 HydrophobicContact CB-CD1 4.04Å; L130-L202 HydrophobicContact CD1-CD1 4.04Å; L130-L202 HydrophobicContact CG-CD1 4.48Å
131S91.7Very high90.9Very high23 Ų2354.2 Ų54.216%0.16129%0.29CS..Hα-helixtrans-60.8-55176.1175.10000111.3Y127 Q128 L129 A133 W134 I135Y127-S131 WeakPolarHBondContact O-CB 3.26Å; Y127-S131 PolarHBondContact O-N 3.46Å; Q128-S131 WeakPolarHBondContact O-CB 3.28Å; Q128-S131 PolarHBondContact O-N 3.25Å; L129-S131 VanDerWaalsContact C-N 3.31Å; L129-S131 PolarHBondContact O-N 2.96Å; S131-A133 VanDerWaalsContact C-N 3.29Å; S131-A133 PolarHBondContact O-N 3.39Å; S131-W134 PolarHBondContact O-N 3.46Å; S131-I135 WeakPolarHBondContact O-CB 3.4Å; S131-I135 WeakPolarHBondContact O-CD1 3.5Å; S131-I135 WeakPolarHBondContact O-CG1 3.25Å; S131-I135 PolarHBondContact O-N 2.91Å
132E90.6Very high90.8Very high29 Ų2949.6 Ų49.614%0.13627%0.269CS..Hα-helixtrans-64.1-34.9179-58.4-40.7129.700112R114 L119 F122 Q128 S136R114-E132 IonicContact CZ-OE1 3.46Å; R114-E132 IonicContact CZ-OE2 2.67Å; R114-E132 IonicContact NH1-OE1 3.15Å; R114-E132 PolarHBondContact NH1-OE1 3.41Å; R114-E132 IonicContact NH1-OE2 2.72Å; R114-E132 PolarHBondContact NH1-OE2 2.79Å; R114-E132 IonicContact NH2-OE1 2.76Å; R114-E132 PolarHBondContact NH2-OE1 3.45Å; R114-E132 IonicContact NH2-OE2 3.1Å; L119-E132 HydrophobicContact CD2-CB 3.86Å; F122-E132 HydrophobicContact CD2-CB 4.31Å; F122-E132 HydrophobicContact CD2-CG 3.86Å; F122-E132 HydrophobicContact CE1-CG 4.5Å; F122-E132 HydrophobicContact CE2-CB 4.22Å; F122-E132 HydrophobicContact CE2-CG 3.57Å; F122-E132 HydrophobicContact CG-CG 4.44Å; F122-E132 HydrophobicContact CZ-CG 3.89Å; Q128-E132 HydrophobicContact CG-CG 4.43Å; Q128-E132 WeakPolarHBondContact O-CG 3.28Å; Q128-E132 PolarHBondContact O-N 3.19Å; E132-S136 WeakPolarHBondContact O-CB 3.42Å; E132-S136 PolarHBondContact O-N 3Å; E132-S136 PolarHBondContact O-OG 2.86Å
133A92Very high90.7Very high20 Ų2053 Ų5317%0.16528%0.284CS..Hα-helixtrans-63.7-48.5174.500000112L119 L129 L130 S131 S136 I137L119-A133 HydrophobicContact CD1-CB 4.34Å; L119-A133 HydrophobicContact CD2-CB 4.24Å; L129-A133 WeakPolarHBondContact O-CB 3.25Å; L129-A133 PolarHBondContact O-N 3.03Å; L130-A133 PolarHBondContact O-N 2.97Å; S131-A133 VanDerWaalsContact C-N 3.29Å; S131-A133 PolarHBondContact O-N 3.39Å; A133-S136 PolarHBondContact O-N 2.93Å; A133-I137 WeakPolarHBondContact O-CD1 3.44Å; A133-I137 VanDerWaalsContact O-CG1 3.25Å; A133-I137 WeakPolarHBondContact O-CG1 3.49Å; A133-I137 PolarHBondContact O-N 3.02Å
134W92.2Very high90.5Very high10 Ų1059.3 Ų59.34%0.03832%0.318CS..Hα-helixtrans-64.5-40.6177.7-82.138.3000111.9L130 S131 I137 G138 L142 P178 Y179 I191 L194 W195L130-W134 WeakPolarHBondContact O-CB 3.48Å; L130-W134 VanDerWaalsContact O-CD1 3.31Å; L130-W134 PolarHBondContact O-N 3.39Å; S131-W134 PolarHBondContact O-N 3.46Å; W134-I137 PolarHBondContact O-N 3.2Å; W134-G138 PolarHBondContact O-N 3.4Å; W134-G138 VanDerWaalsContact O-N 3.13Å; W134-L142 HydrophobicContact CB-CD2 4.32Å; W134-L142 HydrophobicContact CD2-CD2 3.39Å; W134-L142 HydrophobicContact CE3-CD2 3.47Å; W134-L142 VanDerWaalsContact CE3-CD2 3.47Å; W134-L142 HydrophobicContact CG-CD2 3.8Å; W134-L142 HydrophobicContact CH2-CD2 4.32Å; W134-L142 HydrophobicContact CZ2-CD2 4.27Å; W134-L142 HydrophobicContact CZ3-CD2 3.95Å; W134-P178 HydrophobicContact CB-CB 4.49Å; W134-P178 HydrophobicContact CB-CG 4.02Å; W134-Y179 HydrophobicContact CB-CE2 4.13Å; W134-Y179 HydrophobicContact CE3-CD2 4Å; W134-Y179 VanDerWaalsContact O-CE2 3.3Å; W134-Y179 WeakPolarHBondContact O-CE2 3.47Å; W134-Y179 PolarHBondContact O-OH 3.25Å; W134-I191 HydrophobicContact CH2-CG2 4.4Å; W134-I191 HydrophobicContact CZ3-CG2 3.98Å; W134-L194 HydrophobicContact CH2-CD2 4.34Å; W134-L194 HydrophobicContact CH2-CG 4.34Å; W134-L194 HydrophobicContact CZ2-CD2 4.49Å; W134-L194 HydrophobicContact CZ2-CG 4.37Å; W134-W195 HydrophobicContact CB-CZ3 4.43Å; W134-W195 AromaticContact CD2-CE3 3.65Å; W134-W195 HydrophobicContact CD2-CE3 3.65Å; W134-W195 AromaticContact CD2-CZ3 3.83Å; W134-W195 HydrophobicContact CD2-CZ3 3.83Å; W134-W195 AromaticContact CE2-CE3 3.84Å; W134-W195 AromaticContact CE3-CE3 3.59Å; W134-W195 HydrophobicContact CE3-CE3 3.59Å; W134-W195 HydrophobicContact CE3-CZ3 4.04Å; W134-W195 HydrophobicContact CG-CE3 4.31Å; W134-W195 HydrophobicContact CG-CZ3 4.01Å; W134-W195 HydrophobicContact CH2-CB 3.73Å; W134-W195 AromaticContact CH2-CE3 3.97Å; W134-W195 HydrophobicContact CH2-CE3 3.97Å; W134-W195 HydrophobicContact CZ2-CB 4.36Å; W134-W195 HydrophobicContact CZ2-CE3 4.01Å; W134-W195 HydrophobicContact CZ3-CB 4.12Å; W134-W195 AromaticContact CZ3-CE3 3.76Å; W134-W195 HydrophobicContact CZ3-CE3 3.76Å
135I89.1Confident90.5Very high84 Ų8459 Ų5943%0.43132%0.316SS..Hα-helixtrans-60.3-45.7173.2-69.5166.1000110.5S131 I137 G138 P178 Y179S131-I135 WeakPolarHBondContact O-CB 3.4Å; S131-I135 WeakPolarHBondContact O-CD1 3.5Å; S131-I135 WeakPolarHBondContact O-CG1 3.25Å; S131-I135 PolarHBondContact O-N 2.91Å; I135-I137 PolarHBondContact O-N 3.45Å; I135-G138 PolarHBondContact O-N 3.01Å; I135-P178 HydrophobicContact CD1-CB 4.4Å; I135-P178 HydrophobicContact CD1-CG 4.21Å; I135-P178 HydrophobicContact CG1-CB 3.74Å; I135-P178 HydrophobicContact CG1-CG 3.84Å; I135-Y179 WeakPolarHBondContact CA-OH 3.4Å
136S88.5Confident90.4Very high89 Ų8956.7 Ų56.762%0.62230%0.304SS*.Hα-helixtrans-68.2-31.7-178.8-60.60000113.8E132 A133E132-S136 WeakPolarHBondContact O-CB 3.42Å; E132-S136 PolarHBondContact O-N 3Å; E132-S136 PolarHBondContact O-OG 2.86Å; A133-S136 PolarHBondContact O-N 2.93Å
137I90.4Very high90.4Very high55 Ų5558.7 Ų58.728%0.28232%0.321SS..Hα-helixtrans-73.5-41.4176.5-69.5164.7000110.8A133 W134 I135 K141 L142 L145A133-I137 WeakPolarHBondContact O-CD1 3.44Å; A133-I137 VanDerWaalsContact O-CG1 3.25Å; A133-I137 WeakPolarHBondContact O-CG1 3.49Å; A133-I137 PolarHBondContact O-N 3.02Å; W134-I137 PolarHBondContact O-N 3.2Å; I135-I137 PolarHBondContact O-N 3.45Å; I137-K141 HydrophobicContact CG2-CB 3.73Å; I137-K141 WeakPolarHBondContact O-CD 3.48Å; I137-L142 HydrophobicContact CG2-CB 3.92Å; I137-L145 HydrophobicContact CG2-CD1 4.02Å
138G89Confident90.2Very high18 Ų1858.1 Ų58.119%0.18634%0.336CS..  trans82.9150.8-173.100000112.9W134 I135 S140 K141 L142 Y179W134-G138 PolarHBondContact O-N 3.4Å; W134-G138 VanDerWaalsContact O-N 3.13Å; I135-G138 PolarHBondContact O-N 3.01Å; G138-S140 PolarHBondContact O-N 3.38Å; G138-K141 PolarHBondContact O-N 3.36Å; G138-L142 WeakPolarHBondContact O-CB 3.28Å; G138-L142 PolarHBondContact O-N 2.8Å; G138-Y179 VanDerWaalsContact CA-OH 3.29Å; G138-Y179 WeakPolarHBondContact CA-OH 3.45Å
139P88.1Confident90.2Very high41 Ų4159.7 Ų59.727%0.26635%0.346SS..Hα-helixtrans-65.2-36.7-168.824.5-32.4000113L142 K143 Y179 F182P139-L142 PolarHBondContact O-N 2.95Å; P139-K143 PolarHBondContact O-N 3.4Å; P139-Y179 HydrophobicContact CB-CD1 3.92Å; P139-Y179 HydrophobicContact CB-CD2 4.29Å; P139-Y179 HydrophobicContact CB-CE1 3.96Å; P139-Y179 HydrophobicContact CB-CE2 4.31Å; P139-Y179 HydrophobicContact CB-CG 4.11Å; P139-Y179 HydrophobicContact CG-CD1 4.28Å; P139-Y179 HydrophobicContact CG-CE1 3.97Å; P139-F182 HydrophobicContact CB-CB 4.27Å; P139-F182 HydrophobicContact CB-CD1 4.03Å
140S86.5Confident90.2Very high80 Ų8062.6 Ų62.656%0.55936%0.362SS*.Hα-helixtrans-65.9-49.1180-430000112.2G138 L142 K143 D144G138-S140 PolarHBondContact O-N 3.38Å; S140-L142 VanDerWaalsContact C-N 3.28Å; S140-L142 PolarHBondContact O-N 3.4Å; S140-K143 VanDerWaalsContact O-CB 3.31Å; S140-K143 WeakPolarHBondContact O-CB 3.48Å; S140-K143 PolarHBondContact O-N 2.65Å; S140-D144 PolarHBondContact O-N 2.97Å; S140-D144 VanDerWaalsContact O-N 3.07Å
141K90.1Very high90Very high136 Ų13663 Ų6359%0.59136%0.364SS*.Hα-helixtrans-66-33.6177-63.3-172.5-167.4164.60112I137 G138 K143 D144 L145I137-K141 HydrophobicContact CG2-CB 3.73Å; I137-K141 WeakPolarHBondContact O-CD 3.48Å; G138-K141 PolarHBondContact O-N 3.36Å; K141-K143 VanDerWaalsContact C-N 3.33Å; K141-D144 PolarHBondContact O-N 2.75Å; K141-L145 VanDerWaalsContact O-CG 3.29Å; K141-L145 WeakPolarHBondContact O-CG 3.35Å; K141-L145 PolarHBondContact O-N 3.18Å
142L90.5Very high89.9Confident11 Ų1165 Ų656%0.05838%0.378CS..Hα-helixtrans-66.1-37.1175.9-174.656000111.3W134 I137 G138 P139 S140 D144 L145 V146 Y179 F182W134-L142 HydrophobicContact CB-CD2 4.32Å; W134-L142 HydrophobicContact CD2-CD2 3.39Å; W134-L142 HydrophobicContact CE3-CD2 3.47Å; W134-L142 VanDerWaalsContact CE3-CD2 3.47Å; W134-L142 HydrophobicContact CG-CD2 3.8Å; W134-L142 HydrophobicContact CH2-CD2 4.32Å; W134-L142 HydrophobicContact CZ2-CD2 4.27Å; W134-L142 HydrophobicContact CZ3-CD2 3.95Å; I137-L142 HydrophobicContact CG2-CB 3.92Å; G138-L142 WeakPolarHBondContact O-CB 3.28Å; G138-L142 PolarHBondContact O-N 2.8Å; P139-L142 PolarHBondContact O-N 2.95Å; S140-L142 VanDerWaalsContact C-N 3.28Å; S140-L142 PolarHBondContact O-N 3.4Å; L142-D144 VanDerWaalsContact C-N 3.34Å; L142-L145 PolarHBondContact O-N 2.94Å; L142-V146 HydrophobicContact CD1-CG2 4.27Å; L142-V146 WeakPolarHBondContact O-CB 3.39Å; L142-V146 WeakPolarHBondContact O-CG2 3.12Å; L142-V146 PolarHBondContact O-N 3.25Å; L142-Y179 HydrophobicContact CD2-CD2 4.01Å; L142-Y179 HydrophobicContact CD2-CE2 4.02Å; L142-F182 HydrophobicContact CB-CE1 4.16Å; L142-F182 HydrophobicContact CB-CZ 4.49Å; L142-F182 HydrophobicContact CD2-CE1 3.7Å; L142-F182 HydrophobicContact CD2-CZ 4.18Å; L142-F182 HydrophobicContact CG-CE1 3.8Å; L142-F182 HydrophobicContact CG-CZ 3.91Å
143K88Confident90Very high83 Ų8366.1 Ų66.136%0.36138%0.384SS..Hα-helixtrans-61.1-39.9169.3-168.5175-175.8170.60112.2P139 S140 K141 F182 D183P139-K143 PolarHBondContact O-N 3.4Å; S140-K143 VanDerWaalsContact O-CB 3.31Å; S140-K143 WeakPolarHBondContact O-CB 3.48Å; S140-K143 PolarHBondContact O-N 2.65Å; K141-K143 VanDerWaalsContact C-N 3.33Å; K143-F182 HydrophobicContact CB-CB 4.08Å; K143-F182 HydrophobicContact CB-CD2 3.54Å; K143-F182 HydrophobicContact CB-CE2 4.13Å; K143-F182 HydrophobicContact CB-CG 3.94Å; K143-F182 HydrophobicContact CD-CB 3.95Å; K143-F182 HydrophobicContact CD-CD2 4.13Å; K143-F182 HydrophobicContact CD-CG 4.49Å; K143-F182 HydrophobicContact CG-CB 4.38Å; K143-F182 HydrophobicContact CG-CD2 3.73Å; K143-F182 HydrophobicContact CG-CE2 4.43Å; K143-F182 HydrophobicContact CG-CG 4.41Å; K143-D183 IonicContact NZ-OD2 2.98Å; K143-D183 PolarHBondContact NZ-OD2 3.1Å
144D89.6Confident90Very high137 Ų13765.2 Ų65.273%0.73338%0.377SS*.Hα-helixtrans-72.6-32.3179.5-60.5-32000113.2S140 K141 L142S140-D144 PolarHBondContact O-N 2.97Å; S140-D144 VanDerWaalsContact O-N 3.07Å; K141-D144 PolarHBondContact O-N 2.75Å; L142-D144 VanDerWaalsContact C-N 3.34Å
145L90.6Very high89.9Confident129 Ų12965.3 Ų65.368%0.67538%0.38SS*.Hα-helixtrans-74.9-22.9176.3-71.8169.1000113.2I137 K141 L142I137-L145 HydrophobicContact CG2-CD1 4.02Å; K141-L145 VanDerWaalsContact O-CG 3.29Å; K141-L145 WeakPolarHBondContact O-CG 3.35Å; K141-L145 PolarHBondContact O-N 3.18Å; L142-L145 PolarHBondContact O-N 2.94Å
146V90.1Very high90Very high22 Ų2269 Ų6913%0.13339%0.388CS..SBendtrans-97.9113.6-174.61730000110.4L142 A148 L150 L151 L194L142-V146 HydrophobicContact CD1-CG2 4.27Å; L142-V146 WeakPolarHBondContact O-CB 3.39Å; L142-V146 WeakPolarHBondContact O-CG2 3.12Å; L142-V146 PolarHBondContact O-N 3.25Å; V146-A148 PolarHBondContact O-N 3.26Å; V146-L150 HydrophobicContact CG1-CD2 4.49Å; V146-L151 HydrophobicContact CG1-CB 4.13Å; V146-L194 HydrophobicContact CB-CD2 4.44Å; V146-L194 HydrophobicContact CG1-CD2 3.89Å; V146-L194 HydrophobicContact CG2-CD2 3.68Å
147S91Very high90.1Very high69 Ų6968.8 Ų68.848%0.48337%0.374SS..  trans-58.2137.8177.776.40000112.2N149 L150 L151S147-N149 PolarHBondContact O-N 3.44Å; S147-N149 VanDerWaalsContact O-N 3.14Å; S147-L150 PolarHBondContact O-N 3.42Å; S147-L150 WeakPolarHBondContact OG-CB 3.47Å; S147-L150 PolarHBondContact OG-N 2.98Å; S147-L151 PolarHBondContact O-N 2.93Å
148A88.7Confident90Very high82 Ų8267.8 Ų67.868%0.67837%0.368SS*.Hα-helixtrans-57.3-31.3179.300000112.9V146 S152V146-A148 PolarHBondContact O-N 3.26Å; A148-S152 WeakPolarHBondContact O-CB 3.28Å; A148-S152 PolarHBondContact O-N 3.07Å
149N91.3Very high89.9Confident110 Ų11074.1 Ų74.159%0.58839%0.386SS*.Hα-helixtrans-62.6-51.4173.3-175.329.2000111.5S147 L151 S152 I153S147-N149 PolarHBondContact O-N 3.44Å; S147-N149 VanDerWaalsContact O-N 3.14Å; N149-L151 PolarHBondContact O-N 2.93Å; N149-S152 PolarHBondContact O-N 3.38Å; N149-S152 VanDerWaalsContact O-N 3.14Å; N149-S152 PolarHBondContact O-OG 2.88Å; N149-I153 WeakPolarHBondContact O-CG1 3.48Å; N149-I153 PolarHBondContact O-N 2.66Å
150L91.7Very high89.9Confident69 Ų6978.1 Ų78.136%0.36140%0.396SS..Hα-helixtrans-57.5-47.4177.3177.759.7000111.3V146 S147 S152 I153 C154 L194V146-L150 HydrophobicContact CG1-CD2 4.49Å; S147-L150 PolarHBondContact O-N 3.42Å; S147-L150 WeakPolarHBondContact OG-CB 3.47Å; S147-L150 PolarHBondContact OG-N 2.98Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.49Å; L150-I153 WeakPolarHBondContact O-CB 3.15Å; L150-I153 PolarHBondContact O-N 2.92Å; L150-I153 VanDerWaalsContact O-N 3.14Å; L150-C154 PolarHBondContact O-N 3.33Å; L150-C154 PolarHBondContact O-SG 3.42Å; L150-C154 VanDerWaalsContact O-SG 3.36Å; L150-L194 HydrophobicContact CD2-CD1 4.02Å; L150-L194 HydrophobicContact CG-CD1 4.34Å
151L90.5Very high89.8Confident26 Ų2678 Ų7814%0.13639%0.389CS..Hα-helixtrans-61.5-38.9177.7-171.367.3000111.9V146 S147 N149 I153 C154 A155 Q188 I191V146-L151 HydrophobicContact CG1-CB 4.13Å; S147-L151 PolarHBondContact O-N 2.93Å; N149-L151 PolarHBondContact O-N 2.93Å; L151-I153 VanDerWaalsContact C-N 3.33Å; L151-I153 PolarHBondContact O-N 3.46Å; L151-C154 PolarHBondContact O-N 2.91Å; L151-A155 WeakPolarHBondContact O-CB 3.44Å; L151-A155 PolarHBondContact O-N 3.3Å; L151-Q188 HydrophobicContact CD2-CG 4.12Å; L151-Q188 VanDerWaalsContact CD2-NE2 3.33Å; L151-I191 HydrophobicContact CD1-CG1 4.28Å
152S89.9Confident89.4Confident65 Ų6578.2 Ų78.246%0.45539%0.394SS..Hα-helixtrans-64.8-35.2175.982.80000113A148 N149 L150 R156A148-S152 WeakPolarHBondContact O-CB 3.28Å; A148-S152 PolarHBondContact O-N 3.07Å; N149-S152 PolarHBondContact O-N 3.38Å; N149-S152 VanDerWaalsContact O-N 3.14Å; N149-S152 PolarHBondContact O-OG 2.88Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.49Å; S152-R156 WeakPolarHBondContact O-CB 3.48Å; S152-R156 PolarHBondContact O-N 2.85Å
153I91.8Very high88.9Confident53 Ų5386 Ų8627%0.27243%0.427SS..Hα-helixtrans-67.9-44.8175.3-67.8164.4000109.9N149 L150 L151 R156 R157N149-I153 WeakPolarHBondContact O-CG1 3.48Å; N149-I153 PolarHBondContact O-N 2.66Å; L150-I153 WeakPolarHBondContact O-CB 3.15Å; L150-I153 PolarHBondContact O-N 2.92Å; L150-I153 VanDerWaalsContact O-N 3.14Å; L151-I153 VanDerWaalsContact C-N 3.33Å; L151-I153 PolarHBondContact O-N 3.46Å; I153-R156 PolarHBondContact O-N 3.41Å; I153-R157 PolarHBondContact O-N 2.89Å
154C92.1Very high88.1Confident0 Ų089.1 Ų89.10%044%0.443CS..Hα-helixtrans-62.3-45.7175.3-64.60000111.4L150 L151 R156 R157 E158 G190 E193L150-C154 PolarHBondContact O-N 3.33Å; L150-C154 PolarHBondContact O-SG 3.42Å; L150-C154 VanDerWaalsContact O-SG 3.36Å; L151-C154 PolarHBondContact O-N 2.91Å; C154-R156 VanDerWaalsContact C-N 3.27Å; C154-R156 PolarHBondContact O-N 2.75Å; C154-R157 PolarHBondContact O-N 3.31Å; C154-R157 VanDerWaalsContact O-N 3.09Å; C154-E158 PolarHBondContact O-N 3.03Å; C154-G190 VanDerWaalsContact CB-O 3.27Å; C154-G190 WeakPolarHBondContact CB-O 3.33Å; C154-E193 HydrophobicContact CB-CB 3.97Å; C154-E193 HydrophobicContact CB-CG 3.64Å
155A90.2Very high87Confident13 Ų1385.2 Ų85.211%0.10743%0.426CS..Hα-helixtrans-60.2-35.6175.700000112.5L151 R159 L189 G190L151-A155 WeakPolarHBondContact O-CB 3.44Å; L151-A155 PolarHBondContact O-N 3.3Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 WeakPolarHBondContact O-CD 3.3Å; A155-R159 WeakPolarHBondContact O-CG 3.4Å; A155-R159 PolarHBondContact O-N 3.1Å; A155-R159 VanDerWaalsContact O-N 3.07Å; A155-L189 HydrophobicContact CB-CB 4.15Å; A155-L189 WeakPolarHBondContact CB-O 3.45Å; A155-G190 VanDerWaalsContact N-CA 3.34Å
156R90.7Very high85.5Confident162 Ų16284.2 Ų84.261%0.61143%0.43SS*.Hα-helixtrans-71.3-32.7175.9-168.7-179.470.7151.2-0.4112.5S152 I153 C154 R160S152-R156 WeakPolarHBondContact O-CB 3.48Å; S152-R156 PolarHBondContact O-N 2.85Å; I153-R156 PolarHBondContact O-N 3.41Å; C154-R156 VanDerWaalsContact C-N 3.27Å; C154-R156 PolarHBondContact O-N 2.75Å; R156-R160 WeakPolarHBondContact O-CB 3.26Å; R156-R160 PolarHBondContact O-N 3.44Å
157R90.9Very high83.9Confident83 Ų8389.2 Ų89.231%0.31346%0.456SS..Hα-helixtrans-71-53.1173.1-74.6-178.3173.7134.7-11.5110.9I153 C154 R159 R160 D161 E193 R197I153-R157 PolarHBondContact O-N 2.89Å; C154-R157 PolarHBondContact O-N 3.31Å; C154-R157 VanDerWaalsContact O-N 3.09Å; R157-R159 VanDerWaalsContact C-N 3.28Å; R157-R159 PolarHBondContact O-N 3.42Å; R157-R159 VanDerWaalsContact O-N 3.16Å; R157-R160 CarbonylContact O-C 3.57Å; R157-R160 WeakPolarHBondContact O-CA 3.31Å; R157-R160 VanDerWaalsContact O-CB 3.25Å; R157-R160 WeakPolarHBondContact O-CB 3.49Å; R157-R160 PolarHBondContact O-N 2.96Å; R157-D161 PolarHBondContact O-N 2.71Å; R157-E193 HydrophobicContact CB-CG 3.99Å; R157-E193 WeakPolarHBondContact CD-OE1 3.48Å; R157-E193 IonicContact NE-OE1 3.74Å; R157-R197 VanDerWaalsContact NH1-CZ 3.32Å; R157-R197 VanDerWaalsContact NH1-NE 3.1Å
158E88.6Confident82.4Confident35 Ų3595.8 Ų95.816%0.16448%0.476CS..Hα-helixtrans-53.9-42.8176.3-168.5172.7-151.700112.2C154 R160 D161 M162 L189 G190 S192 E193C154-E158 PolarHBondContact O-N 3.03Å; E158-R160 VanDerWaalsContact C-N 3.32Å; E158-R160 PolarHBondContact O-N 2.87Å; E158-D161 PolarHBondContact O-N 3.3Å; E158-M162 WeakPolarHBondContact O-CB 3.36Å; E158-M162 VanDerWaalsContact O-CG 3.25Å; E158-M162 WeakPolarHBondContact O-CG 3.35Å; E158-M162 PolarHBondContact O-N 3.43Å; E158-L189 WeakPolarHBondContact OE2-CA 3.47Å; E158-G190 PolarHBondContact OE2-N 3.48Å; E158-S192 WeakPolarHBondContact OE1-CB 3.21Å; E158-S192 PolarHBondContact OE1-OG 3.27Å; E158-E193 HydrophobicContact CB-CB 4.33Å
159R87.2Confident80.6Confident151 Ų15199.3 Ų99.357%0.5748%0.483SS*.Hα-helixtrans-66.1-23.6173-73.5173.6-175.6-168.41115.4A155 R157 K163 L189A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 WeakPolarHBondContact O-CD 3.3Å; A155-R159 WeakPolarHBondContact O-CG 3.4Å; A155-R159 PolarHBondContact O-N 3.1Å; A155-R159 VanDerWaalsContact O-N 3.07Å; R157-R159 VanDerWaalsContact C-N 3.28Å; R157-R159 PolarHBondContact O-N 3.42Å; R157-R159 VanDerWaalsContact O-N 3.16Å; R159-K163 WeakPolarHBondContact O-CD 3.14Å; R159-K163 WeakPolarHBondContact O-CG 3.41Å; R159-L189 HydrophobicContact CG-CD2 3.62Å
160R88.8Confident78.5Confident125 Ų12597.4 Ų97.447%0.47248%0.479SS..Hα-helixtrans-78.5-48.4172.6168.3-167.6-65-178.9-6.9108.8R156 R157 E158 M162 K163 H164R156-R160 WeakPolarHBondContact O-CB 3.26Å; R156-R160 PolarHBondContact O-N 3.44Å; R157-R160 CarbonylContact O-C 3.57Å; R157-R160 WeakPolarHBondContact O-CA 3.31Å; R157-R160 VanDerWaalsContact O-CB 3.25Å; R157-R160 WeakPolarHBondContact O-CB 3.49Å; R157-R160 PolarHBondContact O-N 2.96Å; E158-R160 VanDerWaalsContact C-N 3.32Å; E158-R160 PolarHBondContact O-N 2.87Å; R160-M162 VanDerWaalsContact C-N 3.35Å; R160-M162 PolarHBondContact O-N 3.19Å; R160-K163 WeakPolarHBondContact O-CA 3.41Å; R160-K163 WeakPolarHBondContact O-CB 3.25Å; R160-K163 PolarHBondContact O-N 3.36Å; R160-H164 PolarHBondContact O-CD2 2.6Å; R160-H164 PolarHBondContact O-N 3.47Å
161D84.4Confident76.3Confident77 Ų77103.5 Ų103.541%0.41250%0.502SS..Hα-helixtrans-71.4-34.7-171-52.4-33.2000110.5R157 E158 K163 H164 S165R157-D161 PolarHBondContact O-N 2.71Å; E158-D161 PolarHBondContact O-N 3.3Å; D161-K163 PolarHBondContact O-N 3.19Å; D161-H164 PolarHBondContact O-N 3.5Å; D161-S165 VanDerWaalsContact O-CB 3.26Å; D161-S165 WeakPolarHBondContact O-CB 3.3Å; D161-S165 PolarHBondContact O-N 2.64Å
162M80.7Confident74.1Confident141 Ų141106.6 Ų106.670%0.69552%0.523SS*.Hα-helixtrans-60.7-21.4166.3-70.5-175.590.700114.6E158 R160E158-M162 WeakPolarHBondContact O-CB 3.36Å; E158-M162 VanDerWaalsContact O-CG 3.25Å; E158-M162 WeakPolarHBondContact O-CG 3.35Å; E158-M162 PolarHBondContact O-N 3.43Å; R160-M162 VanDerWaalsContact C-N 3.35Å; R160-M162 PolarHBondContact O-N 3.19Å
163K80.4Confident71.9Confident173 Ų173107.5 Ų107.575%0.75253%0.529SS*.Hα-helixtrans-91.6-29.6176.2-71.7178.1178.4-171.60113.3R159 R160 D161R159-K163 WeakPolarHBondContact O-CD 3.14Å; R159-K163 WeakPolarHBondContact O-CG 3.41Å; R160-K163 WeakPolarHBondContact O-CA 3.41Å; R160-K163 WeakPolarHBondContact O-CB 3.25Å; R160-K163 PolarHBondContact O-N 3.36Å; D161-K163 PolarHBondContact O-N 3.19Å
164H70.2Confident69.5Low149 Ų149110.7 Ų110.769%0.6955%0.554SS**Hα-helixtrans-94.1-12.2179.2-65.6-72.6000113.2R160 D161 S166R160-H164 PolarHBondContact O-CD2 2.6Å; R160-H164 PolarHBondContact O-N 3.47Å; D161-H164 PolarHBondContact O-N 3.5Å; H164-S166 PolarHBondContact O-N 3.1Å
165S66.6Low67.8Low55 Ų55113.2 Ų113.239%0.38557%0.567SS.*  trans-69.173.2166.6-165.70000111.3D161D161-S165 VanDerWaalsContact O-CB 3.26Å; D161-S165 WeakPolarHBondContact O-CB 3.3Å; D161-S165 PolarHBondContact O-N 2.64Å
166S59.3Low66.4Low109 Ų109118.4 Ų118.476%0.76260%0.597SS**  trans-70.2-25.1170.6-164.90000111.6H164 K168H164-S166 PolarHBondContact O-N 3.1Å; S166-K168 PolarHBondContact O-N 2.7Å
167D57.6Low65.6Low126 Ų126112.1 Ų112.167%0.67458%0.575SS**  trans-76.9102.5176.1-76.4-47.6000111.8N169 S170D167-N169 PolarHBondContact O-N 3.41Å; D167-S170 PolarHBondContact O-N 3.47Å
168K58.5Low64.7Low207 Ų207109.9 Ų109.990%0.957%0.571SS**THydrogen-bonded Turntrans-58.6-4.2175.6-61.8177.3-178.2174.80114.8S166S166-K168 PolarHBondContact O-N 2.7Å
169N51.3Low64.1Low156 Ų156109.9 Ų109.983%0.83457%0.57SS**THydrogen-bonded Turntrans-101.6-8.6175.7-71.3-16.3000113.8D167 K171D167-N169 PolarHBondContact O-N 3.41Å; N169-K171 PolarHBondContact O-N 3.32Å
170S46.8Very low63.2Low71 Ų71108.4 Ų108.450%0.49758%0.578SS.*  trans-78.560.3173.4-159.80000111.4D167 V172D167-S170 PolarHBondContact O-N 3.47Å; S170-V172 VanDerWaalsContact C-N 3.26Å; S170-V172 PolarHBondContact O-N 3.42Å; S170-V172 VanDerWaalsContact O-N 3.1Å
171K45.4Very low62.4Low196 Ų196103.2 Ų103.285%0.85256%0.56SS**  trans-66.997.7147-88-172172.7-176.90105.9N169 S173N169-K171 PolarHBondContact O-N 3.32Å; K171-S173 PolarHBondContact O-N 2.97Å
172V44.4Very low61.8Low92 Ų92100 Ų10056%0.55854%0.543SS*.  trans-44.3129.4161.1178.30000107.1S170 C174 H196S170-V172 VanDerWaalsContact C-N 3.26Å; S170-V172 PolarHBondContact O-N 3.42Å; S170-V172 VanDerWaalsContact O-N 3.1Å; V172-C174 PolarHBondContact O-N 3.07Å; V172-H196 WeakPolarHBondContact CG1-NE2 3.43Å
173S44Very low61.1Low84 Ų8497.6 Ų97.659%0.58753%0.532SS*.  trans-49.1139.4-166.7-171.90000110.9K171 I175K171-S173 PolarHBondContact O-N 2.97Å; S173-I175 PolarHBondContact O-N 3.21Å
174C42.3Very low60.2Low119 Ų11992.5 Ų92.580%0.80453%0.53SS*.  trans-74.560.8-176.956.20000112.1V172 V176V172-C174 PolarHBondContact O-N 3.07Å; C174-V176 PolarHBondContact O-N 2.86Å
175I55.1Low59.9Low54 Ų5488.1 Ų88.128%0.27752%0.515SS..  trans-70.3114.5166.5-63.9158.1000105.6Y127 S173 Q177 W195Y127-I175 HydrophobicContact CD1-CD1 4.49Å; Y127-I175 HydrophobicContact CD1-CG2 3.63Å; Y127-I175 HydrophobicContact CE1-CD1 3.76Å; Y127-I175 HydrophobicContact CE1-CG1 4.35Å; Y127-I175 HydrophobicContact CE1-CG2 3.96Å; S173-I175 PolarHBondContact O-N 3.21Å; I175-Q177 VanDerWaalsContact C-N 3.34Å; I175-Q177 PolarHBondContact O-N 2.91Å; I175-W195 HydrophobicContact CG2-CZ2 4.24Å
176V62.5Low59.4Low121 Ų12192.3 Ų92.373%0.73353%0.534SS*.  trans-7886.1-171.4-175.50000109.4C174C174-V176 PolarHBondContact O-N 2.86Å
177Q73.5Confident59.1Low30 Ų3096 Ų9614%0.1453%0.532CS..  trans-56.1134.1164.858.9178.3-17.100109.3I175 Y179 S192 W195I175-Q177 VanDerWaalsContact C-N 3.34Å; I175-Q177 PolarHBondContact O-N 2.91Å; Q177-Y179 WeakPolarHBondContact CG-O 3.1Å; Q177-Y179 PolarHBondContact O-N 2.85Å; Q177-Y179 VanDerWaalsContact O-N 3.1Å; Q177-S192 PolarHBondContact NE2-OG 3.32Å; Q177-S192 VanDerWaalsContact OE1-CA 3.29Å; Q177-W195 HydrophobicContact CB-CB 4.3Å; Q177-W195 HydrophobicContact CB-CD2 3.69Å; Q177-W195 HydrophobicContact CB-CE3 4.13Å; Q177-W195 HydrophobicContact CB-CG 3.75Å
178P72.4Confident59.6Low37 Ų3791.4 Ų91.424%0.2451%0.507CS..SBendtrans-60.7-23.1-175.2-30.137.6000115.2W134 I135 W195W134-P178 HydrophobicContact CB-CB 4.49Å; W134-P178 HydrophobicContact CB-CG 4.02Å; I135-P178 HydrophobicContact CD1-CB 4.4Å; I135-P178 HydrophobicContact CD1-CG 4.21Å; I135-P178 HydrophobicContact CG1-CB 3.74Å; I135-P178 HydrophobicContact CG1-CG 3.84Å; P178-W195 VanDerWaalsContact CD-CZ3 3.4Å; P178-W195 HydrophobicContact CG-CH2 4.49Å; P178-W195 HydrophobicContact CG-CZ3 4.24Å
179Y75.2Confident60.4Low35 Ų3584 Ų8414%0.13748%0.476CS..  trans-132.7134-178.7-46.4-59.7000110.7W134 I135 G138 P139 L142 Q177 F182W134-Y179 HydrophobicContact CB-CE2 4.13Å; W134-Y179 HydrophobicContact CE3-CD2 4Å; W134-Y179 VanDerWaalsContact O-CE2 3.3Å; W134-Y179 WeakPolarHBondContact O-CE2 3.47Å; W134-Y179 PolarHBondContact O-OH 3.25Å; I135-Y179 WeakPolarHBondContact CA-OH 3.4Å; G138-Y179 VanDerWaalsContact CA-OH 3.29Å; G138-Y179 WeakPolarHBondContact CA-OH 3.45Å; P139-Y179 HydrophobicContact CB-CD1 3.92Å; P139-Y179 HydrophobicContact CB-CD2 4.29Å; P139-Y179 HydrophobicContact CB-CE1 3.96Å; P139-Y179 HydrophobicContact CB-CE2 4.31Å; P139-Y179 HydrophobicContact CB-CG 4.11Å; P139-Y179 HydrophobicContact CG-CD1 4.28Å; P139-Y179 HydrophobicContact CG-CE1 3.97Å; L142-Y179 HydrophobicContact CD2-CD2 4.01Å; L142-Y179 HydrophobicContact CD2-CE2 4.02Å; Q177-Y179 WeakPolarHBondContact CG-O 3.1Å; Q177-Y179 PolarHBondContact O-N 2.85Å; Q177-Y179 VanDerWaalsContact O-N 3.1Å; Y179-F182 HydrophobicContact CD2-CD1 4.5Å; Y179-F182 HydrophobicContact CD2-CE1 4.38Å
180V68.4Low62.1Low120 Ų12076.5 Ų76.573%0.72744%0.437SS*.SBendtrans-98.3-10.6167.1-64.30000112.6
181S71.3Confident64.1Low16 Ų1673.2 Ų73.211%0.11241%0.413CS..  trans-160.2146.3178.1176.30000108.5D183 G184 S185S181-D183 PolarHBondContact OG-N 2.81Å; S181-D183 PolarHBondContact OG-OD1 2.87Å; S181-G184 PolarHBondContact OG-N 2.72Å; S181-S185 WeakPolarHBondContact CB-O 3.33Å; S181-S185 PolarHBondContact OG-N 3.43Å; S181-S185 PolarHBondContact OG-O 3.28Å
182F72.2Confident66.1Low10 Ų1065.3 Ų65.34%0.04438%0.383CS..SBendtrans-86.3-17.7177.2-60.7-44.6000114P139 L142 K143 Y179 Q188 I191P139-F182 HydrophobicContact CB-CB 4.27Å; P139-F182 HydrophobicContact CB-CD1 4.03Å; L142-F182 HydrophobicContact CB-CE1 4.16Å; L142-F182 HydrophobicContact CB-CZ 4.49Å; L142-F182 HydrophobicContact CD2-CE1 3.7Å; L142-F182 HydrophobicContact CD2-CZ 4.18Å; L142-F182 HydrophobicContact CG-CE1 3.8Å; L142-F182 HydrophobicContact CG-CZ 3.91Å; K143-F182 HydrophobicContact CB-CB 4.08Å; K143-F182 HydrophobicContact CB-CD2 3.54Å; K143-F182 HydrophobicContact CB-CE2 4.13Å; K143-F182 HydrophobicContact CB-CG 3.94Å; K143-F182 HydrophobicContact CD-CB 3.95Å; K143-F182 HydrophobicContact CD-CD2 4.13Å; K143-F182 HydrophobicContact CD-CG 4.49Å; K143-F182 HydrophobicContact CG-CB 4.38Å; K143-F182 HydrophobicContact CG-CD2 3.73Å; K143-F182 HydrophobicContact CG-CE2 4.43Å; K143-F182 HydrophobicContact CG-CG 4.41Å; Y179-F182 HydrophobicContact CD2-CD1 4.5Å; Y179-F182 HydrophobicContact CD2-CE1 4.38Å; F182-Q188 VanDerWaalsContact CB-OE1 3.26Å; F182-Q188 VanDerWaalsContact CD2-OE1 3.28Å; F182-Q188 VanDerWaalsContact N-OE1 3.16Å; F182-I191 HydrophobicContact CD1-CD1 3.86Å; F182-I191 HydrophobicContact CD2-CD1 3.8Å; F182-I191 HydrophobicContact CD2-CG1 4.31Å; F182-I191 HydrophobicContact CE1-CD1 3.9Å; F182-I191 HydrophobicContact CE1-CG1 4.24Å; F182-I191 HydrophobicContact CE1-CG2 4.37Å; F182-I191 HydrophobicContact CE2-CD1 3.87Å; F182-I191 HydrophobicContact CE2-CG1 3.88Å; F182-I191 HydrophobicContact CG-CD1 3.8Å; F182-I191 HydrophobicContact CZ-CD1 3.92Å; F182-I191 HydrophobicContact CZ-CG1 3.84Å; F182-I191 HydrophobicContact CZ-CG2 4.46Å
183D66.7Low68.3Low89 Ų8962.2 Ų62.248%0.47636%0.362SS..SBendtrans-123.64.4-178.149.146.7000113.8K143 S181 S185K143-D183 IonicContact NZ-OD2 2.98Å; K143-D183 PolarHBondContact NZ-OD2 3.1Å; S181-D183 PolarHBondContact OG-N 2.81Å; S181-D183 PolarHBondContact OG-OD1 2.87Å; D183-S185 PolarHBondContact O-N 3.4Å; D183-S185 VanDerWaalsContact OD1-CB 3.28Å; D183-S185 WeakPolarHBondContact OD1-CB 3.42Å; D183-S185 PolarHBondContact OD1-N 3.04Å; D183-S185 PolarHBondContact OD1-OG 2.88Å
184G61.8Low70.6Confident67 Ų6758.7 Ų58.769%0.69134%0.337SS*.SBendtrans77.12.6179.300000114.1S181S181-G184 PolarHBondContact OG-N 2.72Å
185S62.7Low73Confident56 Ų5653.2 Ų53.239%0.39230%0.299SS..  trans-73.5144.7164.671.20000110.5S181 D183 Y187S181-S185 WeakPolarHBondContact CB-O 3.33Å; S181-S185 PolarHBondContact OG-N 3.43Å; S181-S185 PolarHBondContact OG-O 3.28Å; D183-S185 PolarHBondContact O-N 3.4Å; D183-S185 VanDerWaalsContact OD1-CB 3.28Å; D183-S185 WeakPolarHBondContact OD1-CB 3.42Å; D183-S185 PolarHBondContact OD1-N 3.04Å; D183-S185 PolarHBondContact OD1-OG 2.88Å; S185-Y187 PolarHBondContact O-N 3.21Å
186D55.6Low74.7Confident144 Ų14453.9 Ų53.977%0.7730%0.301SS*.SBendtrans-68.22.3-175.6-61.5-58.9000114.8
187Y53.8Low76.1Confident187 Ų18751.1 Ų51.173%0.73328%0.277SS*.  trans-135.550.6-163.8-62.2-70.7000115.3S185 L189S185-Y187 PolarHBondContact O-N 3.21Å; Y187-L189 HydrophobicContact CD1-CD1 4.43Å
188Q67.7Low77Confident29 Ų2951.6 Ų51.614%0.13628%0.284CS..  trans-10765165-157.5164.31800112.7L151 F182 I191L151-Q188 HydrophobicContact CD2-CG 4.12Å; L151-Q188 VanDerWaalsContact CD2-NE2 3.33Å; F182-Q188 VanDerWaalsContact CB-OE1 3.26Å; F182-Q188 VanDerWaalsContact CD2-OE1 3.28Å; F182-Q188 VanDerWaalsContact N-OE1 3.16Å; Q188-I191 HydrophobicContact CB-CD1 3.85Å; Q188-I191 HydrophobicContact CG-CD1 3.82Å; Q188-I191 HydrophobicContact CG-CG1 4.17Å; Q188-I191 WeakPolarHBondContact O-CG1 3.43Å
189L76Confident78Confident50 Ų5050.2 Ų50.226%0.26227%0.274SS..THydrogen-bonded Turntrans-54.5145.2168.2-72.477.4000110.1A155 E158 R159 Y187A155-L189 HydrophobicContact CB-CB 4.15Å; A155-L189 WeakPolarHBondContact CB-O 3.45Å; E158-L189 WeakPolarHBondContact OE2-CA 3.47Å; R159-L189 HydrophobicContact CG-CD2 3.62Å; Y187-L189 HydrophobicContact CD1-CD1 4.43Å
190G85.9Confident78.8Confident0 Ų053.1 Ų53.10%029%0.289CS..THydrogen-bonded Turntrans104.8-19.3-174.900000114C154 A155 E158 L194C154-G190 VanDerWaalsContact CB-O 3.27Å; C154-G190 WeakPolarHBondContact CB-O 3.33Å; A155-G190 VanDerWaalsContact N-CA 3.34Å; E158-G190 PolarHBondContact OE2-N 3.48Å; G190-L194 WeakPolarHBondContact O-CB 3.34Å; G190-L194 PolarHBondContact O-N 3.23Å
191I89Confident79.9Confident1 Ų151.7 Ų51.71%0.00527%0.274CS..Hα-helixtrans-68-45.1178-63.3174.7000111W134 L151 F182 Q188 E193 L194 W195W134-I191 HydrophobicContact CH2-CG2 4.4Å; W134-I191 HydrophobicContact CZ3-CG2 3.98Å; L151-I191 HydrophobicContact CD1-CG1 4.28Å; F182-I191 HydrophobicContact CD1-CD1 3.86Å; F182-I191 HydrophobicContact CD2-CD1 3.8Å; F182-I191 HydrophobicContact CD2-CG1 4.31Å; F182-I191 HydrophobicContact CE1-CD1 3.9Å; F182-I191 HydrophobicContact CE1-CG1 4.24Å; F182-I191 HydrophobicContact CE1-CG2 4.37Å; F182-I191 HydrophobicContact CE2-CD1 3.87Å; F182-I191 HydrophobicContact CE2-CG1 3.88Å; F182-I191 HydrophobicContact CG-CD1 3.8Å; F182-I191 HydrophobicContact CZ-CD1 3.92Å; F182-I191 HydrophobicContact CZ-CG1 3.84Å; F182-I191 HydrophobicContact CZ-CG2 4.46Å; Q188-I191 HydrophobicContact CB-CD1 3.85Å; Q188-I191 HydrophobicContact CG-CD1 3.82Å; Q188-I191 HydrophobicContact CG-CG1 4.17Å; Q188-I191 WeakPolarHBondContact O-CG1 3.43Å; I191-E193 PolarHBondContact O-N 3.36Å; I191-L194 WeakPolarHBondContact O-CB 3.27Å; I191-L194 PolarHBondContact O-N 2.96Å; I191-W195 PolarHBondContact O-N 3.43Å
192S88.4Confident80.9Confident30 Ų3052.3 Ų52.321%0.2128%0.276CS..Hα-helixtrans-60.5-47.1178.4-32.80000111.9E158 Q177 L194 W195 H196E158-S192 WeakPolarHBondContact OE1-CB 3.21Å; E158-S192 PolarHBondContact OE1-OG 3.27Å; Q177-S192 PolarHBondContact NE2-OG 3.32Å; Q177-S192 VanDerWaalsContact OE1-CA 3.29Å; S192-L194 VanDerWaalsContact C-N 3.33Å; S192-L194 PolarHBondContact O-N 3.16Å; S192-W195 PolarHBondContact O-N 3.45Å; S192-H196 PolarHBondContact O-N 2.9Å; S192-H196 PolarHBondContact O-ND1 3.37Å
193E90.1Very high81.8Confident28 Ų2855.6 Ų55.613%0.13129%0.294CS..Hα-helixtrans-66.3-34.6177.3167.265.2176.500111.9C154 R157 E158 I191 R197C154-E193 HydrophobicContact CB-CB 3.97Å; C154-E193 HydrophobicContact CB-CG 3.64Å; R157-E193 HydrophobicContact CB-CG 3.99Å; R157-E193 WeakPolarHBondContact CD-OE1 3.48Å; R157-E193 IonicContact NE-OE1 3.74Å; E158-E193 HydrophobicContact CB-CB 4.33Å; I191-E193 PolarHBondContact O-N 3.36Å; E193-R197 WeakPolarHBondContact O-CB 3.19Å; E193-R197 VanDerWaalsContact O-CG 3.3Å; E193-R197 WeakPolarHBondContact O-CG 3.21Å; E193-R197 PolarHBondContact O-N 2.91Å; E193-R197 IonicContact OE1-CZ 2.74Å; E193-R197 IonicContact OE1-NE 3.98Å; E193-R197 PolarHBondContact OE1-NE 2.76Å; E193-R197 IonicContact OE1-NH2 2.7Å; E193-R197 PolarHBondContact OE1-NH2 2.79Å
194L92.5Very high83Confident10 Ų1056.8 Ų56.85%0.05230%0.3CS..Hα-helixtrans-65.3-44.1172.9179.367.7000111.7W134 V146 L150 G190 I191 S192 R197 C198W134-L194 HydrophobicContact CH2-CD2 4.34Å; W134-L194 HydrophobicContact CH2-CG 4.34Å; W134-L194 HydrophobicContact CZ2-CD2 4.49Å; W134-L194 HydrophobicContact CZ2-CG 4.37Å; V146-L194 HydrophobicContact CB-CD2 4.44Å; V146-L194 HydrophobicContact CG1-CD2 3.89Å; V146-L194 HydrophobicContact CG2-CD2 3.68Å; L150-L194 HydrophobicContact CD2-CD1 4.02Å; L150-L194 HydrophobicContact CG-CD1 4.34Å; G190-L194 WeakPolarHBondContact O-CB 3.34Å; G190-L194 PolarHBondContact O-N 3.23Å; I191-L194 WeakPolarHBondContact O-CB 3.27Å; I191-L194 PolarHBondContact O-N 2.96Å; S192-L194 VanDerWaalsContact C-N 3.33Å; S192-L194 PolarHBondContact O-N 3.16Å; L194-R197 PolarHBondContact O-N 3.07Å; L194-C198 PolarHBondContact O-N 2.71Å; L194-C198 PolarHBondContact O-SG 2.68Å; L194-C198 VanDerWaalsContact O-SG 3.39Å
195W91.8Very high84.3Confident3 Ų355 Ų551%0.01128%0.275CS..Hα-helixtrans-58.7-50.7175.6170.5-93.3000111.5L130 W134 I175 Q177 P178 I191 S192 R197 C198 I199L130-W195 HydrophobicContact CB-CH2 3.98Å; L130-W195 HydrophobicContact CB-CZ3 4.05Å; L130-W195 HydrophobicContact CD2-CD2 3.93Å; L130-W195 HydrophobicContact CD2-CE3 3.53Å; L130-W195 HydrophobicContact CD2-CH2 3.96Å; L130-W195 HydrophobicContact CD2-CZ2 4.32Å; L130-W195 HydrophobicContact CD2-CZ3 3.55Å; L130-W195 HydrophobicContact CG-CE3 4.02Å; L130-W195 HydrophobicContact CG-CH2 4.01Å; L130-W195 HydrophobicContact CG-CZ3 3.57Å; W134-W195 HydrophobicContact CB-CZ3 4.43Å; W134-W195 AromaticContact CD2-CE3 3.65Å; W134-W195 HydrophobicContact CD2-CE3 3.65Å; W134-W195 AromaticContact CD2-CZ3 3.83Å; W134-W195 HydrophobicContact CD2-CZ3 3.83Å; W134-W195 AromaticContact CE2-CE3 3.84Å; W134-W195 AromaticContact CE3-CE3 3.59Å; W134-W195 HydrophobicContact CE3-CE3 3.59Å; W134-W195 HydrophobicContact CE3-CZ3 4.04Å; W134-W195 HydrophobicContact CG-CE3 4.31Å; W134-W195 HydrophobicContact CG-CZ3 4.01Å; W134-W195 HydrophobicContact CH2-CB 3.73Å; W134-W195 AromaticContact CH2-CE3 3.97Å; W134-W195 HydrophobicContact CH2-CE3 3.97Å; W134-W195 HydrophobicContact CZ2-CB 4.36Å; W134-W195 HydrophobicContact CZ2-CE3 4.01Å; W134-W195 HydrophobicContact CZ3-CB 4.12Å; W134-W195 AromaticContact CZ3-CE3 3.76Å; W134-W195 HydrophobicContact CZ3-CE3 3.76Å; I175-W195 HydrophobicContact CG2-CZ2 4.24Å; Q177-W195 HydrophobicContact CB-CB 4.3Å; Q177-W195 HydrophobicContact CB-CD2 3.69Å; Q177-W195 HydrophobicContact CB-CE3 4.13Å; Q177-W195 HydrophobicContact CB-CG 3.75Å; P178-W195 VanDerWaalsContact CD-CZ3 3.4Å; P178-W195 HydrophobicContact CG-CH2 4.49Å; P178-W195 HydrophobicContact CG-CZ3 4.24Å; I191-W195 PolarHBondContact O-N 3.43Å; S192-W195 PolarHBondContact O-N 3.45Å; W195-R197 PolarHBondContact O-N 3.24Å; W195-C198 PolarHBondContact O-N 2.85Å; W195-I199 HydrophobicContact CZ2-CD1 4.22Å; W195-I199 HydrophobicContact CZ2-CG1 4.4Å; W195-I199 WeakPolarHBondContact O-CG1 3.4Å; W195-I199 PolarHBondContact O-N 3.19Å
196H90.7Very high85.7Confident69 Ų6955 Ų5532%0.31928%0.275SS..Hα-helixtrans-60.5-35178.1-73.288000112.2V172 S192 Q200V172-H196 WeakPolarHBondContact CG1-NE2 3.43Å; S192-H196 PolarHBondContact O-N 2.9Å; S192-H196 PolarHBondContact O-ND1 3.37Å; H196-Q200 WeakPolarHBondContact O-CB 3.43Å; H196-Q200 PolarHBondContact O-N 3.29Å
197R92Very high87.4Confident63 Ų6351.3 Ų51.324%0.23825%0.254CS..Hα-helixtrans-66.6-49.1172.2-76-175.8178.8-60-32.1113.1R157 E193 L194 W195 I199 Q200 E201R157-R197 VanDerWaalsContact NH1-CZ 3.32Å; R157-R197 VanDerWaalsContact NH1-NE 3.1Å; E193-R197 WeakPolarHBondContact O-CB 3.19Å; E193-R197 VanDerWaalsContact O-CG 3.3Å; E193-R197 WeakPolarHBondContact O-CG 3.21Å; E193-R197 PolarHBondContact O-N 2.91Å; E193-R197 IonicContact OE1-CZ 2.74Å; E193-R197 IonicContact OE1-NE 3.98Å; E193-R197 PolarHBondContact OE1-NE 2.76Å; E193-R197 IonicContact OE1-NH2 2.7Å; E193-R197 PolarHBondContact OE1-NH2 2.79Å; L194-R197 PolarHBondContact O-N 3.07Å; W195-R197 PolarHBondContact O-N 3.24Å; R197-I199 PolarHBondContact O-N 2.98Å; R197-Q200 PolarHBondContact O-N 2.72Å; R197-E201 VanDerWaalsContact O-CG 3.26Å; R197-E201 WeakPolarHBondContact O-CG 3.25Å; R197-E201 PolarHBondContact O-N 2.92Å
198C93.5Very high89.1Confident40 Ų4047.6 Ų47.627%0.2725%0.247SC..Hα-helixtrans-58.3-35.7177.3-69.70000112.2L130 L194 W195 L202L130-C198 HydrophobicContact CD1-CB 3.87Å; L130-C198 HydrophobicContact CD2-CB 3.51Å; L130-C198 HydrophobicContact CG-CB 4.37Å; L194-C198 PolarHBondContact O-N 2.71Å; L194-C198 PolarHBondContact O-SG 2.68Å; L194-C198 VanDerWaalsContact O-SG 3.39Å; W195-C198 PolarHBondContact O-N 2.85Å; C198-L202 WeakPolarHBondContact O-CB 3.18Å; C198-L202 VanDerWaalsContact O-CG 3.27Å; C198-L202 WeakPolarHBondContact O-CG 3.48Å; C198-L202 PolarHBondContact O-N 2.83Å
199I92.5Very high90.2Very high7 Ų748.9 Ų48.94%0.03625%0.253CS..Hα-helixtrans-65.6-45.9170.3-68.4-61000111.9Y127 L130 W195 R197 L202 N203Y127-I199 HydrophobicContact CD1-CD1 3.55Å; Y127-I199 HydrophobicContact CD1-CG1 3.91Å; Y127-I199 HydrophobicContact CD1-CG2 4.14Å; Y127-I199 HydrophobicContact CE1-CB 4.31Å; Y127-I199 HydrophobicContact CE1-CD1 4.01Å; Y127-I199 HydrophobicContact CE1-CG1 3.94Å; Y127-I199 HydrophobicContact CE1-CG2 3.46Å; Y127-I199 VanDerWaalsContact CE1-CG2 3.46Å; Y127-I199 HydrophobicContact CE2-CG2 4.46Å; Y127-I199 HydrophobicContact CG-CD1 4.07Å; L130-I199 HydrophobicContact CB-CD1 3.87Å; L130-I199 HydrophobicContact CD2-CD1 3.51Å; L130-I199 HydrophobicContact CD2-CG1 3.7Å; L130-I199 HydrophobicContact CG-CD1 4.33Å; W195-I199 HydrophobicContact CZ2-CD1 4.22Å; W195-I199 HydrophobicContact CZ2-CG1 4.4Å; W195-I199 WeakPolarHBondContact O-CG1 3.4Å; W195-I199 PolarHBondContact O-N 3.19Å; R197-I199 PolarHBondContact O-N 2.98Å; I199-L202 PolarHBondContact O-N 3.32Å; I199-N203 PolarHBondContact O-N 3.45Å; I199-N203 PolarHBondContact O-ND2 3.26Å; I199-N203 VanDerWaalsContact O-ND2 3.16Å
200Q91.9Very high91Very high97 Ų9746.8 Ų46.845%0.45324%0.242SC..Hα-helixtrans-60.4-51.9179.7-174.2-175.3-20.100111.3H196 R197 L202 N203 D204H196-Q200 WeakPolarHBondContact O-CB 3.43Å; H196-Q200 PolarHBondContact O-N 3.29Å; R197-Q200 PolarHBondContact O-N 2.72Å; Q200-L202 PolarHBondContact O-N 3.13Å; Q200-N203 WeakPolarHBondContact O-CA 3.39Å; Q200-N203 WeakPolarHBondContact O-CB 3.46Å; Q200-N203 PolarHBondContact O-N 2.68Å; Q200-D204 PolarHBondContact O-N 2.97Å; Q200-D204 VanDerWaalsContact O-N 3.09Å
201E91.8Very high91.3Very high89 Ų8950.7 Ų50.742%0.41626%0.259SS..Hα-helixtrans-61.7-32.5-180-52.8-81.915800111.2R197 L205R197-E201 VanDerWaalsContact O-CG 3.26Å; R197-E201 WeakPolarHBondContact O-CG 3.25Å; R197-E201 PolarHBondContact O-N 2.92Å; E201-L205 WeakPolarHBondContact O-CG 3.29Å
202L92.6Very high91.3Very high29 Ų2951.8 Ų51.815%0.15227%0.268CS..Hα-helixtrans-67.7-38.4171.2-79.4172.2000112.8H126 L130 C198 I199 Q200 D204 L205 I210H126-L202 HydrophobicContact CB-CB 4.19Å; H126-L202 HydrophobicContact CB-CD1 4.46Å; H126-L202 PolarHBondContact CE1-O 2.92Å; H126-L202 PolarHBondContact ND1-O 3.49Å; L130-L202 HydrophobicContact CB-CD1 4.04Å; L130-L202 HydrophobicContact CD1-CD1 4.04Å; L130-L202 HydrophobicContact CG-CD1 4.48Å; C198-L202 WeakPolarHBondContact O-CB 3.18Å; C198-L202 VanDerWaalsContact O-CG 3.27Å; C198-L202 WeakPolarHBondContact O-CG 3.48Å; C198-L202 PolarHBondContact O-N 2.83Å; I199-L202 PolarHBondContact O-N 3.32Å; Q200-L202 PolarHBondContact O-N 3.13Å; L202-D204 VanDerWaalsContact C-N 3.27Å; L202-D204 PolarHBondContact O-N 3.19Å; L202-L205 PolarHBondContact O-N 3.46Å; L202-I210 HydrophobicContact CD2-CD1 4.18Å; L202-I210 HydrophobicContact CD2-CG1 4.31Å
203N91.7Very high91.4Very high79 Ų7954 Ų5442%0.42228%0.277SS..Hα-helixtrans-68.6-26.1177.7-66.2-30.5000113.3H126 I199 Q200 L205H126-N203 PolarHBondContact ND1-OD1 2.87Å; I199-N203 PolarHBondContact O-N 3.45Å; I199-N203 PolarHBondContact O-ND2 3.26Å; I199-N203 VanDerWaalsContact O-ND2 3.16Å; Q200-N203 WeakPolarHBondContact O-CA 3.39Å; Q200-N203 WeakPolarHBondContact O-CB 3.46Å; Q200-N203 PolarHBondContact O-N 2.68Å; N203-L205 VanDerWaalsContact C-N 3.26Å
204D90.4Very high91.4Very high114 Ų11455.7 Ų55.761%0.6129%0.287SS*.THydrogen-bonded Turntrans-79-9175.2-67.2-36.6000112.5Q200 L202Q200-D204 PolarHBondContact O-N 2.97Å; Q200-D204 VanDerWaalsContact O-N 3.09Å; L202-D204 VanDerWaalsContact C-N 3.27Å; L202-D204 PolarHBondContact O-N 3.19Å
205L89.9Confident91.3Very high31 Ų3158.9 Ų58.916%0.16231%0.31CS..SBendtrans-98147.5174.5-62.8-179.4000112.9E201 L202 N203 I210 I213 L225E201-L205 WeakPolarHBondContact O-CG 3.29Å; L202-L205 PolarHBondContact O-N 3.46Å; N203-L205 VanDerWaalsContact C-N 3.26Å; L205-I210 HydrophobicContact CB-CD1 4.22Å; L205-I210 HydrophobicContact CB-CG1 3.94Å; L205-I210 HydrophobicContact CD1-CG1 4.41Å; L205-I213 HydrophobicContact CD1-CD1 3.96Å; L205-L225 HydrophobicContact CD1-CD2 4.3Å; L205-L225 HydrophobicContact CD2-CB 4.46Å; L205-L225 HydrophobicContact CD2-CD2 3.52Å
206S91.3Very high91Very high55 Ų5561.9 Ų61.939%0.38534%0.342SS..  trans-76.7149.717067.40000112.2D208 Q209 I210S206-D208 PolarHBondContact O-N 3.06Å; S206-D208 VanDerWaalsContact O-N 3.08Å; S206-Q209 WeakPolarHBondContact O-CA 3.47Å; S206-Q209 WeakPolarHBondContact O-CB 3.22Å; S206-Q209 PolarHBondContact O-N 3.43Å; S206-Q209 WeakPolarHBondContact OG-CG 3.34Å; S206-Q209 PolarHBondContact OG-N 2.93Å; S206-Q209 PolarHBondContact OG-OE1 3.2Å; S206-I210 WeakPolarHBondContact O-CG1 3.31Å; S206-I210 PolarHBondContact O-N 3.24Å
207I91.7Very high90.6Very high66 Ų6663.5 Ų63.534%0.33836%0.357SS..Hα-helixtrans-47.3-37.7173.4-76.1171000112.4I123 I210 K211I123-I207 HydrophobicContact CG2-CB 4.26Å; I123-I207 HydrophobicContact CG2-CG1 4.23Å; I123-I207 HydrophobicContact CG2-CG2 3.89Å; I207-I210 PolarHBondContact O-N 3.45Å; I207-K211 HydrophobicContact CG2-CD 4.1Å; I207-K211 VanDerWaalsContact CG2-CE 3.46Å; I207-K211 VanDerWaalsContact O-CG 3.27Å; I207-K211 WeakPolarHBondContact O-CG 3.25Å; I207-K211 PolarHBondContact O-N 3.39Å
208D90.5Very high89.6Confident110 Ų11063.5 Ų63.559%0.58836%0.363SS*.Hα-helixtrans-78.3-31.6-179.3-60.9-37.1000112.9S206 K211 A212S206-D208 PolarHBondContact O-N 3.06Å; S206-D208 VanDerWaalsContact O-N 3.08Å; D208-K211 IonicContact OD1-NZ 3.25Å; D208-A212 VanDerWaalsContact O-CB 3.29Å; D208-A212 WeakPolarHBondContact O-CB 3.34Å; D208-A212 PolarHBondContact O-N 2.74Å
209Q90.9Very high88.3Confident56 Ų5670 Ų7026%0.26240%0.395SS..Hα-helixtrans-64.9-43.8167.6-73.3161.9-63.400110.8S206 A212 I213S206-Q209 WeakPolarHBondContact O-CA 3.47Å; S206-Q209 WeakPolarHBondContact O-CB 3.22Å; S206-Q209 PolarHBondContact O-N 3.43Å; S206-Q209 WeakPolarHBondContact OG-CG 3.34Å; S206-Q209 PolarHBondContact OG-N 2.93Å; S206-Q209 PolarHBondContact OG-OE1 3.2Å; Q209-A212 PolarHBondContact O-N 2.96Å; Q209-I213 WeakPolarHBondContact O-CB 2.93Å; Q209-I213 WeakPolarHBondContact O-CD1 3.48Å; Q209-I213 VanDerWaalsContact O-CG1 3.25Å; Q209-I213 WeakPolarHBondContact O-CG1 3.3Å; Q209-I213 PolarHBondContact O-N 3.34Å
210I92.5Very high87Confident5 Ų572.4 Ų72.43%0.02641%0.408CS..Hα-helixtrans-61.7-46.6177.6-63.4168.8000110.5I123 H126 L129 L202 L205 S206 I207 A212 I213 L214I123-I210 HydrophobicContact CG1-CG2 4.29Å; I123-I210 HydrophobicContact CG2-CB 4.14Å; I123-I210 HydrophobicContact CG2-CG2 3.9Å; H126-I210 VanDerWaalsContact NE2-CD1 3.27Å; H126-I210 WeakPolarHBondContact NE2-CD1 3.49Å; L129-I210 HydrophobicContact CD2-CG2 3.7Å; L202-I210 HydrophobicContact CD2-CD1 4.18Å; L202-I210 HydrophobicContact CD2-CG1 4.31Å; L205-I210 HydrophobicContact CB-CD1 4.22Å; L205-I210 HydrophobicContact CB-CG1 3.94Å; L205-I210 HydrophobicContact CD1-CG1 4.41Å; S206-I210 WeakPolarHBondContact O-CG1 3.31Å; S206-I210 PolarHBondContact O-N 3.24Å; I207-I210 PolarHBondContact O-N 3.45Å; I210-A212 VanDerWaalsContact C-N 3.3Å; I210-A212 PolarHBondContact O-N 3.19Å; I210-I213 PolarHBondContact O-N 3.08Å; I210-L214 HydrophobicContact CG2-CD1 3.97Å; I210-L214 HydrophobicContact CG2-CG 4.43Å; I210-L214 WeakPolarHBondContact O-CG 3.38Å; I210-L214 PolarHBondContact O-N 3.09Å
211K91.4Very high85.7Confident83 Ų8371.9 Ų71.936%0.36141%0.408SS..Hα-helixtrans-53.6-46.1172.5-78166.7-173.9165.60112.4I123 I207 D208 L214 S215I123-K211 HydrophobicContact CD1-CB 4.37Å; I123-K211 HydrophobicContact CD1-CD 4.31Å; I123-K211 HydrophobicContact CD1-CG 3.32Å; I123-K211 HydrophobicContact CG2-CG 4.47Å; I207-K211 HydrophobicContact CG2-CD 4.1Å; I207-K211 VanDerWaalsContact CG2-CE 3.46Å; I207-K211 VanDerWaalsContact O-CG 3.27Å; I207-K211 WeakPolarHBondContact O-CG 3.25Å; I207-K211 PolarHBondContact O-N 3.39Å; D208-K211 IonicContact OD1-NZ 3.25Å; K211-L214 PolarHBondContact O-N 2.74Å; K211-S215 VanDerWaalsContact O-CB 3.26Å; K211-S215 WeakPolarHBondContact O-CB 3.47Å; K211-S215 PolarHBondContact O-N 2.87Å; K211-S215 PolarHBondContact O-OG 3.3Å
212A89.6Confident84.5Confident23 Ų2372.4 Ų72.419%0.1942%0.419CS..Hα-helixtrans-73.9-32.1-175.600000112.5D208 Q209 I210 G216 T217 V218D208-A212 VanDerWaalsContact O-CB 3.29Å; D208-A212 WeakPolarHBondContact O-CB 3.34Å; D208-A212 PolarHBondContact O-N 2.74Å; Q209-A212 PolarHBondContact O-N 2.96Å; I210-A212 VanDerWaalsContact C-N 3.3Å; I210-A212 PolarHBondContact O-N 3.19Å; A212-G216 PolarHBondContact O-N 3Å; A212-G216 VanDerWaalsContact O-N 3.17Å; A212-T217 WeakPolarHBondContact CA-OG1 3.47Å; A212-T217 PolarHBondContact O-N 3.11Å; A212-T217 PolarHBondContact O-OG1 2.93Å; A212-T217 VanDerWaalsContact O-OG1 3.12Å; A212-V218 HydrophobicContact CB-CG2 3.26Å
213I90.3Very high83.3Confident77 Ų7774.5 Ų74.540%0.39543%0.433SS..Hα-helixtrans-64.8-49.7169.3-69.7162.7000110.6L205 Q209 I210 S215 G216 L225L205-I213 HydrophobicContact CD1-CD1 3.96Å; Q209-I213 WeakPolarHBondContact O-CB 2.93Å; Q209-I213 WeakPolarHBondContact O-CD1 3.48Å; Q209-I213 VanDerWaalsContact O-CG1 3.25Å; Q209-I213 WeakPolarHBondContact O-CG1 3.3Å; Q209-I213 PolarHBondContact O-N 3.34Å; I210-I213 PolarHBondContact O-N 3.08Å; I213-S215 VanDerWaalsContact C-N 3.29Å; I213-S215 PolarHBondContact O-N 2.91Å; I213-G216 PolarHBondContact O-N 3.04Å; I213-L225 HydrophobicContact CD1-CD1 4.44Å; I213-L225 HydrophobicContact CD1-CD2 4.13Å
214L91Very high82.1Confident64 Ų6476.3 Ų76.334%0.33544%0.439SS..Hα-helixtrans-62.7-35.8177.7-69.5171.8000112.4L119 D120 I123 L129 I210 K211 G216L119-L214 HydrophobicContact CB-CD1 4.47Å; L119-L214 HydrophobicContact CB-CD2 4.17Å; L119-L214 HydrophobicContact CD1-CD2 4.17Å; D120-L214 WeakPolarHBondContact OD1-CB 3.47Å; I123-L214 HydrophobicContact CD1-CD1 4Å; I123-L214 HydrophobicContact CG1-CD1 3.77Å; L129-L214 HydrophobicContact CD1-CD1 4.1Å; I210-L214 HydrophobicContact CG2-CD1 3.97Å; I210-L214 HydrophobicContact CG2-CG 4.43Å; I210-L214 WeakPolarHBondContact O-CG 3.38Å; I210-L214 PolarHBondContact O-N 3.09Å; K211-L214 PolarHBondContact O-N 2.74Å; L214-G216 PolarHBondContact O-N 3.32Å
215S88.5Confident80.8Confident77 Ų7773 Ų7354%0.53842%0.421SS..THydrogen-bonded Turntrans-73.4-9.7174-57.60000113.8K211 I213 T217K211-S215 VanDerWaalsContact O-CB 3.26Å; K211-S215 WeakPolarHBondContact O-CB 3.47Å; K211-S215 PolarHBondContact O-N 2.87Å; K211-S215 PolarHBondContact O-OG 3.3Å; I213-S215 VanDerWaalsContact C-N 3.29Å; I213-S215 PolarHBondContact O-N 2.91Å; S215-T217 PolarHBondContact O-N 2.7Å
216G86.8Confident79.5Confident66 Ų6676.6 Ų76.668%0.6844%0.444SS*.THydrogen-bonded Turntrans63.820.7-174.600000114.5A212 I213 L214A212-G216 PolarHBondContact O-N 3Å; A212-G216 VanDerWaalsContact O-N 3.17Å; I213-G216 PolarHBondContact O-N 3.04Å; L214-G216 PolarHBondContact O-N 3.32Å
217T81.7Confident77.8Confident103 Ų10382.4 Ų82.463%0.63246%0.458SS*.  trans-86.6-12.2-172.2510000114.2A212 S215A212-T217 WeakPolarHBondContact CA-OG1 3.47Å; A212-T217 PolarHBondContact O-N 3.11Å; A212-T217 PolarHBondContact O-OG1 2.93Å; A212-T217 VanDerWaalsContact O-OG1 3.12Å; S215-T217 PolarHBondContact O-N 2.7Å
218V72.1Confident75.9Confident62 Ų6284.7 Ų84.738%0.37647%0.469SS..  trans-117.5119.1-176.8-131.10000112.4A212 L220A212-V218 HydrophobicContact CB-CG2 3.26Å; V218-L220 HydrophobicContact CB-CD1 4.14Å; V218-L220 HydrophobicContact CB-CG 3.85Å; V218-L220 HydrophobicContact CG1-CD1 4.03Å; V218-L220 HydrophobicContact CG1-CD2 3.97Å; V218-L220 HydrophobicContact CG1-CG 3.57Å; V218-L220 PolarHBondContact O-N 3.27Å; V218-L220 VanDerWaalsContact O-N 3.07Å
219N65.7Low73.7Confident176 Ų17685 Ų8594%0.94148%0.478SS*.  trans-79.267.7160.5-71-61.8000109.3
220L63.7Low71.2Confident59 Ų5986 Ų8631%0.30950%0.503SS..  trans-81129168.4-67.8171000108.8V218 P222 L225V218-L220 HydrophobicContact CB-CD1 4.14Å; V218-L220 HydrophobicContact CB-CG 3.85Å; V218-L220 HydrophobicContact CG1-CD1 4.03Å; V218-L220 HydrophobicContact CG1-CD2 3.97Å; V218-L220 HydrophobicContact CG1-CG 3.57Å; V218-L220 PolarHBondContact O-N 3.27Å; V218-L220 VanDerWaalsContact O-N 3.07Å; L220-P222 WeakPolarHBondContact O-CD 3.35Å; L220-L225 HydrophobicContact CB-CD1 4.08Å; L220-L225 HydrophobicContact CB-CG 4.08Å; L220-L225 HydrophobicContact CD1-CD1 4.42Å; L220-L225 HydrophobicContact CD1-CD2 3.6Å; L220-L225 HydrophobicContact CD1-CG 3.97Å
221D66.3Low68.6Low86 Ų8692.2 Ų92.246%0.4654%0.536SS..  trans-61.6128.1162.9-174.7-25.8000107.7V223 E224D221-V223 PolarHBondContact O-N 3.39Å; D221-V223 VanDerWaalsContact OD1-CB 3.31Å; D221-V223 WeakPolarHBondContact OD1-CB 3.32Å; D221-V223 WeakPolarHBondContact OD1-CG2 3.34Å; D221-V223 PolarHBondContact OD1-N 3.49Å; D221-E224 HydrophobicContact CB-CG 4.29Å; D221-E224 PolarHBondContact O-N 2.91Å
222P66.3Low66Low99 Ų9998.9 Ų98.964%0.64357%0.565SS**Hα-helixtrans-49.4-24.1172.3-29.536.6000114.3L220L220-P222 WeakPolarHBondContact O-CD 3.35Å
223V67.2Low63.7Low73 Ų73102.2 Ų102.244%0.44259%0.587SS.*Hα-helixtrans-74.9-24.7177.3-179.30000113.4D221 R227D221-V223 PolarHBondContact O-N 3.39Å; D221-V223 VanDerWaalsContact OD1-CB 3.31Å; D221-V223 WeakPolarHBondContact OD1-CB 3.32Å; D221-V223 WeakPolarHBondContact OD1-CG2 3.34Å; D221-V223 PolarHBondContact OD1-N 3.49Å; V223-R227 WeakPolarHBondContact O-CG 3.37Å; V223-R227 PolarHBondContact O-NE 3.18Å
224E65.3Low61Low118 Ų118107 Ų10755%0.55161%0.608SS**Hα-helixtrans-85.3-35.6179.2-69.4-167.1152.500112.8D221 V226 R227D221-E224 HydrophobicContact CB-CG 4.29Å; D221-E224 PolarHBondContact O-N 2.91Å; E224-V226 PolarHBondContact O-N 3.05Å; E224-R227 PolarHBondContact O-N 2.99Å
225L63.8Low58.7Low45 Ų45111.4 Ų111.424%0.23663%0.63CS.*Hα-helixtrans-53-38177.4-83160.5000112.9L205 I213 L220 R227L205-L225 HydrophobicContact CD1-CD2 4.3Å; L205-L225 HydrophobicContact CD2-CB 4.46Å; L205-L225 HydrophobicContact CD2-CD2 3.52Å; I213-L225 HydrophobicContact CD1-CD1 4.44Å; I213-L225 HydrophobicContact CD1-CD2 4.13Å; L220-L225 HydrophobicContact CB-CD1 4.08Å; L220-L225 HydrophobicContact CB-CG 4.08Å; L220-L225 HydrophobicContact CD1-CD1 4.42Å; L220-L225 HydrophobicContact CD1-CD2 3.6Å; L220-L225 HydrophobicContact CD1-CG 3.97Å; L225-R227 PolarHBondContact O-N 2.92Å
226V62Low56.3Low105 Ų105111.8 Ų111.864%0.63664%0.638SS**THydrogen-bonded Turntrans-78.51.3-173.2-177.50000113.3E224E224-V226 PolarHBondContact O-N 3.05Å
227R57.1Low54Low178 Ų178114.6 Ų114.667%0.67265%0.647SS**THydrogen-bonded Turntrans-120.14.2-163.5-66.8-169.2-170.5178.94.2118.1V223 E224 L225 P229V223-R227 WeakPolarHBondContact O-CG 3.37Å; V223-R227 PolarHBondContact O-NE 3.18Å; E224-R227 PolarHBondContact O-N 2.99Å; L225-R227 PolarHBondContact O-N 2.92Å; R227-P229 VanDerWaalsContact C-CD 3.42Å; R227-P229 WeakPolarHBondContact O-CD 3.49Å
228I51.8Low52.3Low114 Ų114115 Ų11559%0.58565%0.654SS**  trans-115.176.3-171.8-46.4-177.3000112.8G230I228-G230 PolarHBondContact O-N 3.29Å
229P43.7Very low51Low117 Ų117120.5 Ų120.576%0.7668%0.676SS**  trans-67.2120.9161.930.1-31.5000108.8R227R227-P229 VanDerWaalsContact C-CD 3.42Å; R227-P229 WeakPolarHBondContact O-CD 3.49Å
230G37.8Very low50.4Low77 Ų77121 Ų12179%0.79467%0.67SS**  trans-62.8135.6-153.700000117.8I228I228-G230 PolarHBondContact O-N 3.29Å
231N38Very low49.5Very low135 Ų135124 Ų12472%0.72269%0.686SS**  trans-125.289.7169.353.8-20.6000111.3S233N231-S233 PolarHBondContact O-N 3.45Å
232K37Very low48.6Very low222 Ų222127.5 Ų127.597%0.96571%0.705SS**  trans-78.792.6175.4-73-175.8176.5-179.50112.2
233S40.9Very low47.5Very low94 Ų94128.5 Ų128.566%0.65771%0.713SS**  trans-167.9118.2156.8-169.40000105.4N231N231-S233 PolarHBondContact O-N 3.45Å
234E34.1Very low46.4Very low178 Ų178129.1 Ų129.183%0.83272%0.72SS**  61.3138.856.6-161.2166.9-168.900112.9
235I43.3Very low45.7Very low156 Ų156131.4 Ų131.480%0.873%0.73SS**  trans72.999.6-165-46.6167000111.6
236A38.6Very low45Very low85 Ų85134.1 Ų134.170%0.70275%0.753SS**  cis92.911042.500000115.3
237S37.4Very low44Very low125 Ų125135.1 Ų135.187%0.87476%0.762SS**  trans79146.6148.6-55.60000122.1
238S47.4Very low43.6Very low111 Ų111136.4 Ų136.478%0.77677%0.772SS**  trans82.973.6158.9-155.80000120.4
239E44.3Very low43.1Very low178 Ų178136 Ų13683%0.83278%0.777SS**  27.7103.3111.2-170.3-176.7140.200117.7
240K52.4Low43Very low187 Ų187137.7 Ų137.781%0.81378%0.779SS**  trans-167145.6131.4-119.1172.7-177.9170.40118.2
241D45.3Very low43.5Very low122 Ų122140 Ų14065%0.65278%0.784SS**  trans-44.4134174.4-38.3-59.2000117.5
242N47.9Very low43.9Very low159 Ų159139.9 Ų139.985%0.8579%0.787SS**  166.9154.199.1-93.6-60.4000113.8
243C41.5Very low44Very low120 Ų120135.6 Ų135.681%0.81178%0.784SS**  trans-92.5149-172.2-63.60000114.6
244S44.8Very low44.2Very low85 Ų85139 Ų13959%0.59479%0.789SS**  trans52.6124.2133.9-168.80000120.3
245H51.9Low44.7Very low166 Ų166138.1 Ų138.177%0.76979%0.787SS**  -179.7128.399.2-95.6-66.2000115.1
246S48.8Very low44.6Very low103 Ų103137.4 Ų137.472%0.7279%0.791SS**  trans61.7124.3141.1-53.80000121.8
247P39.9Very low45Very low126 Ų126138.6 Ų138.682%0.81879%0.793SS**  trans-96.9172.5175.639.4-36.4000114.3
248K48.7Very low45.4Very low205 Ų205142.7 Ų142.789%0.89180%0.796SS**  trans-150.2153.9156.7-108.2171.4-176.2176.20111.6
249P41.2Very low45.4Very low104 Ų104146 Ų14668%0.67580%0.801SS**  trans-125.9-168.7-159.136.4-16.8000115.2
250N42.8Very low45.3Very low153 Ų153146.7 Ų146.782%0.81880%0.804SS**  trans91.5110.3162.6-49.4-21000118.2
251S47.7Very low44.8Very low126 Ų126143.1 Ų143.188%0.88180%0.798SS**  -161.8143.1128.9-166.10000111.2
252V46.1Very low44.9Very low132 Ų132146 Ų14680%0.881%0.807SS**  trans-79.1145.5-174.6176.80000111.8
253C38.8Very low44.9Very low132 Ų132145.9 Ų145.989%0.89281%0.806SS**  trans-150.1169.1147.4-153.30000110.4
254E44.7Very low45.2Very low165 Ų165144.9 Ų144.977%0.77181%0.807SS**  trans-124.2151.9-146.5-157.3178.2138.100114.7
255M46.2Very low45.1Very low160 Ų160148.9 Ų148.979%0.78882%0.821SS**  trans24.7114.8159.5-73.3-72-179.300119.8
256T41Very low44.9Very low142 Ų142146.5 Ų146.587%0.87182%0.824SS**  -166139.2108.315.20000114.5
257S45.7Very low44.8Very low109 Ų109147 Ų14776%0.76282%0.823SS**  trans-37136.717854.70000119.5
258K45.7Very low45.1Very low212 Ų212147.6 Ų147.692%0.92282%0.824SS**  -155.4141.1128.5-112.7165.5-173.7173.90111.3
259M47.2Very low44.8Very low181 Ų181142.3 Ų142.389%0.89282%0.819SS**  trans-82135.9179.9-66.3153.758.900111.2
260Q42.9Very low44.5Very low191 Ų191145.3 Ų145.389%0.89383%0.828SS**  trans-152.8158.9143.8-117.6166.28.600110.6
261V41.6Very low44.2Very low113 Ų113144.6 Ų144.669%0.68583%0.833SS**  trans-104.2130-1611790000110.7
262H47.1Very low43.8Very low181 Ų181144.5 Ų144.584%0.83883%0.833SS**  trans-140.9121.4160.2-74.4-67.3000109.2
263D48.5Very low43.7Very low157 Ų157144.7 Ų144.784%0.8483%0.834SS**  trans-70.8145.4177.3-59.8-79.2000111.5
264A47.3Very low43.6Very low100 Ų100145.9 Ų145.983%0.82683%0.831SS**  trans-118.8110-178.500000110.4
265D43.4Very low43.4Very low168 Ų168147 Ų14790%0.89884%0.836SS**  trans-126.171169.8-153.26.5000108.7
266S48.5Very low43Very low117 Ų117145.8 Ų145.882%0.81883%0.833SS**  trans-98.2129.1179.5-170.90000109.9
267T45.6Very low42.8Very low114 Ų114146.7 Ų146.770%0.69983%0.827SS**  trans-75.4179.5-169.653.70000114.3
268T47.5Very low42.3Very low138 Ų138151.5 Ų151.585%0.84784%0.835SS**  trans85.585.5169.470.30000118.1
269A41.6Very low41.9Very low94 Ų94148.4 Ų148.478%0.77783%0.828SS**  trans-149119.414900000111.5
270L35.4Very low41.5Very low167 Ų167146.4 Ų146.487%0.87482%0.819SS**  trans29.2115.1144-55172.9000119.6
271C36Very low41.3Very low137 Ų137146.8 Ų146.893%0.92682%0.821SS**  trans-15977.1143.3-102.80000112.1
272S39.9Very low40.9Very low125 Ų125151 Ų15187%0.87483%0.83SS**  trans-99.1101157.5-61.20000108.3
273V43.1Very low40.4Very low135 Ų135146.5 Ų146.582%0.81883%0.825SS**  trans-174.6159.7165.8126.30000109.2
274L37.3Very low39.9Very low158 Ų158145.2 Ų145.283%0.82782%0.823SS**  trans78.257.6-176.2-51.1-173.9000117
275E39.1Very low39.3Very low189 Ų189146.8 Ų146.888%0.88382%0.817SS**  -74.8120.3128.5-71.7-176.1122.300108.3
276N38.8Very low39.2Very low134 Ų134147.1 Ų147.172%0.71781%0.813SS**  trans-169.4141.1147.2-114.7-62.8000113
277Q36.6Very low38.6Very low160 Ų160144.8 Ų144.875%0.74881%0.807SS**  trans52.898.7155.4-72.8159.367.600118.3
278F35.1Very low38.2Very low211 Ų211147.1 Ų147.193%0.92581%0.814SS**  -49.3133.4126.5-79.8-112.1000109.1
279D38.3Very low38Very low146 Ų146148.4 Ų148.478%0.78181%0.814SS**  trans-156.4166.7134.6-134.9-37.6000112.3
280I37.5Very low37.8Very low139 Ų139149.2 Ų149.271%0.71381%0.814SS**  trans-109.6125.6-165.3-57.7161.7000110.6
281Q38.4Very low38.2Very low200 Ų200149 Ų14994%0.93581%0.813SS**  trans-168.4171.9140.3-109146.191.100115.9
282K34Very low38.4Very low200 Ų200151 Ų15187%0.8781%0.807SS**  trans-144.1125-156.8159.4-164.2174.4-179.50110.1
283A36.3Very low38.4Very low88 Ų88153 Ų15373%0.72781%0.806SS**  trans-177.4156.5156.200000113.6
284T37.5Very low38Very low130 Ų130154.6 Ų154.680%0.79881%0.805SS**  trans67.8115.1162.4-40000116.7
285D36.4Very low38.3Very low133 Ų133153.5 Ų153.571%0.71181%0.805SS**  cis101.514619.7-154.9-2.8000114.8
286H40.8Very low38.1Very low174 Ų174152.2 Ų152.281%0.80680%0.804SS**  trans85.3140.6175.8-57.8-29.9000122.2
287G36.2Very low38.3Very low68 Ų68151.4 Ų151.470%0.70181%0.809SS**  trans97.274.516100000116.3
288I36.7Very low38.3Very low163 Ų163153 Ų15384%0.83682%0.817SS**  4310474.1-51.2179.9000114.4
289I43Very low38.7Very low165 Ų165148.5 Ų148.585%0.84681%0.811SS**  -160.8145.5124.3-97.4153.7000107.4
290S36.7Very low38.5Very low111 Ų111151.5 Ų151.578%0.77682%0.817SS**  trans-125.7148.1170.3-57.40000108.3
291D44.4Very low38.7Very low162 Ų162151.9 Ų151.987%0.86683%0.826SS**  trans-153.8163.4136.8-130-34.9000113.7
292K39.3Very low38.8Very low180 Ų180151.9 Ų151.978%0.78382%0.823SS**  trans-96.8153-176.4-62.6169.5-179.3170.30111.4
293L40Very low38.5Very low166 Ų166146.8 Ų146.887%0.86981%0.813SS**  trans-145.9142.6138.8-108.9168.8000110.5
294H36.1Very low38.3Very low170 Ų170154 Ų15479%0.78782%0.821SS**  trans-119.5134.8173.7-93.645.8000108.2
295T44Very low38.1Very low134 Ų134153.2 Ų153.282%0.82282%0.821SS**  trans-145.2121159.848.70000109.5
296N34.4Very low37.8Very low162 Ų162153.6 Ų153.687%0.86683%0.833SS**  trans-77.9148.1169.2-86-8.2000110.7
297S41.8Very low37.4Very low117 Ų117152 Ų15282%0.81884%0.835SS**  trans-151.2120.8155.258.50000108.7
298E37.1Very low37.3Very low195 Ų195154 Ų15491%0.91184%0.839SS**  trans-81.1141.5-175.2-62.5166.6105.800112
299S42.9Very low37.7Very low116 Ų116152.1 Ų152.181%0.81184%0.837SS**  trans-147.5132.1160.861.10000111.1
300F35.8Very low37.6Very low208 Ų208152.8 Ų152.891%0.91283%0.834SS**  trans-62.4138.8-173.5-92.5-133000113.5
301T40.8Very low37.9Very low147 Ų147154.2 Ų154.290%0.90283%0.833SS**  trans-158.8164.5135.65.60000110.9
302K39.8Very low38Very low201 Ų201153.1 Ų153.187%0.87483%0.832SS**  trans-82.6136-163.9-76.7178174.7175.10114.3
303S29.3Very low38Very low93 Ų93155.7 Ų155.765%0.6584%0.837SS**  54.1128.8127.5-162.80000119.1
304W32.1Very low38.2Very low239 Ų239154.6 Ų154.691%0.90584%0.837SS**  cis-118.6157.822.5-63.8-60.3000114.2
305S32.3Very low38.4Very low113 Ų113155 Ų15579%0.7984%0.839SS**  trans-155.1125.9165.2-60.20000109.9
306C30.2Very low38.3Very low142 Ų142157.2 Ų157.296%0.95984%0.84SS**PPolyproline II helixtrans-79.7126.9173.1-71.50000110.3
307T32.3Very low38.4Very low139 Ų139157.1 Ų157.185%0.85383%0.832SS**PPolyproline II helixtrans-91.7135.8175.940.90000110.8
308S34.9Very low38Very low111 Ų111159.3 Ų159.378%0.77683%0.829SS**PPolyproline II helixtrans-99.7143.3170.5-164.70000110.5
309P44.9Very low38.2Very low123 Ų123156 Ų15680%0.79983%0.827SS**PPolyproline II helixtrans-66.9173.6176.8-21.835000114.6
310K39.7Very low38Very low179 Ų179157.1 Ų157.178%0.77883%0.829SS**  trans-107.9167.4-167.7-50.5178.9176.9179.30115.2
311D43.1Very low38.2Very low141 Ų141150.1 Ų150.175%0.75482%0.816SS**  trans85.3158.2137.9-71-38.7000121.5
312V47.8Very low38.2Very low139 Ų139152.8 Ų152.884%0.84282%0.818SS**  trans86110.7169.6-166.90000117.6
313R39.2Very low38.2Very low235 Ų235149.1 Ų149.189%0.88781%0.813SS**  trans-81.5153.4164.1-59.8172.5171.9-174-3.3111.2
314T44.2Very low39Very low142 Ų142150 Ų15087%0.87182%0.818SS**  trans-158.8167.2138.1-72.60000107.7
315E40.3Very low39.7Very low180 Ų180146.4 Ų146.484%0.84181%0.81SS**  trans-99.1-171.5-157.6-49.9-164.415200116.1
316E40.9Very low40.7Very low179 Ų179145.5 Ų145.584%0.83680%0.796SS**  trans80.5149.8169-53-159.4130.300118.9
317K37Very low41.8Very low161 Ų161143.2 Ų143.270%0.778%0.782SS**  cis-169.7149.1-46.1-141.5173176.7172.60107.8
318H34.3Very low43Very low163 Ų163142 Ų14276%0.75577%0.77SS**  trans57.4108.3168.3-55-73.8000118.8
319S40.3Very low44.7Very low124 Ų124141.5 Ų141.587%0.86777%0.766SS**  -168.7145.699.1-169.10000110.9
320T37.8Very low46.2Very low140 Ų140142.9 Ų142.986%0.85976%0.76SS**  trans-81.1141.4177.4-45.20000110.9
321G39.8Very low48.3Very low61 Ų61138.6 Ų138.663%0.62975%0.746SS**  trans-137.3140.3164.300000109.2T323G321-T323 PolarHBondContact O-N 3.25Å
322E41.4Very low50.2Low203 Ų203136.7 Ų136.795%0.94974%0.735SS**  trans-72.6125.7-171.6-69.8165103.200111.9
323T41.2Very low52.1Low125 Ų125134 Ų13477%0.76772%0.718SS**  trans-101.8108.2171.3-48.10000108.6G321G321-T323 PolarHBondContact O-N 3.25Å
324C44.2Very low54.5Low112 Ų112127.6 Ų127.676%0.75770%0.702SS**  trans-77.5122.7177-167.90000110.4I326C324-I326 PolarHBondContact O-N 2.89Å
325H48Very low56.7Low162 Ų162125 Ų12575%0.7568%0.682SS**  trans-78.579.3175.6-91.4-94.5000111.2S327H325-S327 PolarHBondContact O-N 3.44Å; H325-S327 VanDerWaalsContact O-N 3.08Å; H325-S327 PolarHBondContact O-OG 3.03Å
326I53.4Low59.2Low95 Ų95119.8 Ų119.849%0.48766%0.662SS.*  trans-63110.8165.6-55.5177.1000107.1C324 D331C324-I326 PolarHBondContact O-N 2.89Å; I326-D331 HydrophobicContact CG2-CB 3.77Å
327S53.6Low61.7Low94 Ų94116.7 Ų116.766%0.65765%0.648SS**  trans-118.91.8-165.3-57.30000114.2H325H325-S327 PolarHBondContact O-N 3.44Å; H325-S327 VanDerWaalsContact O-N 3.08Å; H325-S327 PolarHBondContact O-OG 3.03Å
328D56.9Low64.4Low113 Ų113115.3 Ų115.360%0.60464%0.644SS**  trans-119.1135.1173.1-88.3-66.6000110.1K330 D331D328-K330 PolarHBondContact O-N 3.5Å; D328-D331 PolarHBondContact O-N 3.01Å
329S70.4Confident67.3Low101 Ų101113.3 Ų113.371%0.70664%0.635SS**Hα-helixtrans-66.4-17.718056.80000113.3V333S329-V333 WeakPolarHBondContact O-CG2 3.37Å; S329-V333 PolarHBondContact O-N 3Å
330K77.1Confident70Confident152 Ų152111.5 Ų111.566%0.66161%0.614SS**Hα-helixtrans-71.9-45.1-179.8-138.6167.7-173.1173.70112D328 L332 V333 D334D328-K330 PolarHBondContact O-N 3.5Å; K330-L332 PolarHBondContact O-N 3.11Å; K330-V333 PolarHBondContact O-N 3.27Å; K330-V333 VanDerWaalsContact O-N 3.07Å; K330-D334 PolarHBondContact O-N 2.96Å
331D83.2Confident72.7Confident89 Ų89108.5 Ų108.548%0.47660%0.596SS.*Hα-helixtrans-56.8-38.1175.4-66.31000111.6I326 D328 L335I326-D331 HydrophobicContact CG2-CB 3.77Å; D328-D331 PolarHBondContact O-N 3.01Å; D331-L335 WeakPolarHBondContact O-CB 3.48Å; D331-L335 PolarHBondContact O-N 2.99Å
332L82.2Confident75.4Confident100 Ų100109.8 Ų109.852%0.52459%0.586SS.*Hα-helixtrans-68-40.8177.2-173.366.4000112.2K330 V336K330-L332 PolarHBondContact O-N 3.11Å; L332-V336 WeakPolarHBondContact O-CB 3.37Å; L332-V336 VanDerWaalsContact O-CG2 3.28Å; L332-V336 WeakPolarHBondContact O-CG2 3.43Å; L332-V336 PolarHBondContact O-N 3.37Å
333V89.1Confident78Confident82 Ų82104.5 Ų104.550%0.49756%0.563SS.*Hα-helixtrans-66.1-43.5176.5169.50000111S329 K330 V336 H337S329-V333 WeakPolarHBondContact O-CG2 3.37Å; S329-V333 PolarHBondContact O-N 3Å; K330-V333 PolarHBondContact O-N 3.27Å; K330-V333 VanDerWaalsContact O-N 3.07Å; V333-V336 PolarHBondContact O-N 3.14Å; V333-H337 WeakPolarHBondContact O-CB 3.38Å; V333-H337 PolarHBondContact O-CD2 3.36Å; V333-H337 PolarHBondContact O-N 2.96Å
334D89.4Confident80.7Confident101 Ų101102.7 Ų102.754%0.5455%0.546SS..Hα-helixtrans-67.1-38.9178.2-71.8-22.7000111.6K330 H337 Q338K330-D334 PolarHBondContact O-N 2.96Å; D334-H337 PolarHBondContact O-N 3.42Å; D334-Q338 WeakPolarHBondContact O-CB 3.35Å; D334-Q338 PolarHBondContact O-N 3.14Å
335L89.6Confident83.2Confident88 Ų88103 Ų10346%0.46154%0.538SS..Hα-helixtrans-64.6-43.2174.4-174.166.8000112.3D331 Q338 E339D331-L335 WeakPolarHBondContact O-CB 3.48Å; D331-L335 PolarHBondContact O-N 2.99Å; L335-Q338 WeakPolarHBondContact O-CB 3.49Å; L335-Q338 PolarHBondContact O-N 2.73Å; L335-E339 PolarHBondContact O-N 3.28Å
336V93.9Very high85.5Confident71 Ų71101.8 Ų101.843%0.4353%0.527SS..Hα-helixtrans-64.7-41175.1167.50000111L332 V333 Q338 E339 I340L332-V336 WeakPolarHBondContact O-CB 3.37Å; L332-V336 VanDerWaalsContact O-CG2 3.28Å; L332-V336 WeakPolarHBondContact O-CG2 3.43Å; L332-V336 PolarHBondContact O-N 3.37Å; V333-V336 PolarHBondContact O-N 3.14Å; V336-Q338 VanDerWaalsContact C-N 3.34Å; V336-Q338 PolarHBondContact O-N 2.95Å; V336-E339 PolarHBondContact O-N 3.14Å; V336-I340 HydrophobicContact CG1-CD1 3.82Å; V336-I340 HydrophobicContact CG1-CG1 4.49Å; V336-I340 WeakPolarHBondContact O-CB 3.26Å; V336-I340 VanDerWaalsContact O-CG1 3.25Å; V336-I340 WeakPolarHBondContact O-CG1 3.27Å; V336-I340 PolarHBondContact O-N 3.33Å
337H93Very high87.6Confident113 Ų11399 Ų9952%0.52352%0.518SS..Hα-helixtrans-61.9-41.2172.6-92.1-61.6000112.2V333 D334 I340 T341V333-H337 WeakPolarHBondContact O-CB 3.38Å; V333-H337 PolarHBondContact O-CD2 3.36Å; V333-H337 PolarHBondContact O-N 2.96Å; D334-H337 PolarHBondContact O-N 3.42Å; H337-I340 PolarHBondContact O-N 2.84Å; H337-T341 WeakPolarHBondContact O-CG2 3.31Å; H337-T341 PolarHBondContact O-N 2.93Å
338Q94.1Very high89.6Confident132 Ų132102 Ų10262%0.61752%0.515SS*.Hα-helixtrans-60.2-48.7175.8-173.4174.6-1.300111.2D334 L335 V336 I340 T341 E342D334-Q338 WeakPolarHBondContact O-CB 3.35Å; D334-Q338 PolarHBondContact O-N 3.14Å; L335-Q338 WeakPolarHBondContact O-CB 3.49Å; L335-Q338 PolarHBondContact O-N 2.73Å; V336-Q338 VanDerWaalsContact C-N 3.34Å; V336-Q338 PolarHBondContact O-N 2.95Å; Q338-I340 PolarHBondContact O-N 3.29Å; Q338-T341 PolarHBondContact O-N 3.06Å; Q338-T341 PolarHBondContact O-OG1 3.14Å; Q338-E342 PolarHBondContact O-N 3.02Å
339E95.2Very high91.5Very high122 Ų12299 Ų9957%0.5751%0.506SS*.Hα-helixtrans-62.5-41.3177.9-174.6166.8-164.800112.3L335 V336 T341 E342 L343L335-E339 PolarHBondContact O-N 3.28Å; V336-E339 PolarHBondContact O-N 3.14Å; E339-T341 VanDerWaalsContact C-N 3.34Å; E339-T341 PolarHBondContact O-N 3.42Å; E339-E342 PolarHBondContact O-N 3.16Å; E339-L343 HydrophobicContact CG-CD1 4.02Å; E339-L343 HydrophobicContact CG-CG 4.32Å; E339-L343 WeakPolarHBondContact O-CB 3.27Å; E339-L343 WeakPolarHBondContact O-CG 3.44Å; E339-L343 PolarHBondContact O-N 2.99Å
340I95.7Very high92.7Very high85 Ų8598.5 Ų98.544%0.43650%0.495SS..Hα-helixtrans-57.5-45.9173.6-71.1165.7000111V336 H337 Q338 E342 L343 E344V336-I340 HydrophobicContact CG1-CD1 3.82Å; V336-I340 HydrophobicContact CG1-CG1 4.49Å; V336-I340 WeakPolarHBondContact O-CB 3.26Å; V336-I340 VanDerWaalsContact O-CG1 3.25Å; V336-I340 WeakPolarHBondContact O-CG1 3.27Å; V336-I340 PolarHBondContact O-N 3.33Å; H337-I340 PolarHBondContact O-N 2.84Å; Q338-I340 PolarHBondContact O-N 3.29Å; I340-E342 VanDerWaalsContact C-N 3.34Å; I340-E342 PolarHBondContact O-N 2.88Å; I340-L343 PolarHBondContact O-N 3.17Å; I340-E344 WeakPolarHBondContact O-CB 3.35Å; I340-E344 PolarHBondContact O-N 2.88Å
341T95.9Very high93.5Very high78 Ų7898.4 Ų98.448%0.47949%0.49SS..Hα-helixtrans-65.8-34.8178.163.30000112.8H337 Q338 E339 E344 M345H337-T341 WeakPolarHBondContact O-CG2 3.31Å; H337-T341 PolarHBondContact O-N 2.93Å; Q338-T341 PolarHBondContact O-N 3.06Å; Q338-T341 PolarHBondContact O-OG1 3.14Å; E339-T341 VanDerWaalsContact C-N 3.34Å; E339-T341 PolarHBondContact O-N 3.42Å; T341-E344 WeakPolarHBondContact O-CB 3.47Å; T341-M345 WeakPolarHBondContact O-CG 3.43Å; T341-M345 PolarHBondContact O-N 3.36Å
342E96.1Very high94Very high87 Ų8796.9 Ų96.941%0.40749%0.49SS..Hα-helixtrans-69.4-43.5175.9-152-158149.100111.9Q338 E339 I340 E344 M345 R346Q338-E342 PolarHBondContact O-N 3.02Å; E339-E342 PolarHBondContact O-N 3.16Å; I340-E342 VanDerWaalsContact C-N 3.34Å; I340-E342 PolarHBondContact O-N 2.88Å; E342-E344 VanDerWaalsContact C-N 3.31Å; E342-E344 PolarHBondContact O-N 2.99Å; E342-M345 HydrophobicContact CG-CE 4.36Å; E342-M345 PolarHBondContact O-N 3.25Å; E342-R346 VanDerWaalsContact CD-NH2 3.35Å; E342-R346 WeakPolarHBondContact O-CB 3.5Å; E342-R346 VanDerWaalsContact O-CG 3.28Å; E342-R346 WeakPolarHBondContact O-CG 3.25Å; E342-R346 PolarHBondContact O-N 2.95Å; E342-R346 IonicContact OE1-CZ 2.71Å; E342-R346 IonicContact OE1-NE 3.74Å; E342-R346 PolarHBondContact OE1-NE 3.27Å; E342-R346 IonicContact OE1-NH2 3.51Å; E342-R346 PolarHBondContact OE1-NH2 3.19Å; E342-R346 IonicContact OE2-NH2 3.44Å; E342-R346 PolarHBondContact OE2-NH2 2.92Å
343L96.8Very high94.5Very high92 Ų9297.2 Ų97.248%0.48249%0.49SS..Hα-helixtrans-61.2-39.8175.1-70172.8000111.6E339 I340 R346 A347E339-L343 HydrophobicContact CG-CD1 4.02Å; E339-L343 HydrophobicContact CG-CG 4.32Å; E339-L343 WeakPolarHBondContact O-CB 3.27Å; E339-L343 WeakPolarHBondContact O-CG 3.44Å; E339-L343 PolarHBondContact O-N 2.99Å; I340-L343 PolarHBondContact O-N 3.17Å; L343-R346 PolarHBondContact O-N 3.09Å; L343-A347 VanDerWaalsContact O-CB 3.26Å; L343-A347 WeakPolarHBondContact O-CB 3.49Å; L343-A347 PolarHBondContact O-N 3.45Å
344E96Very high94.6Very high88 Ų8898 Ų9841%0.41149%0.491SS..Hα-helixtrans-58.9-49.2170.9-93-127.8-145.300112.7I340 T341 E342 A347 R348I340-E344 WeakPolarHBondContact O-CB 3.35Å; I340-E344 PolarHBondContact O-N 2.88Å; T341-E344 WeakPolarHBondContact O-CB 3.47Å; E342-E344 VanDerWaalsContact C-N 3.31Å; E342-E344 PolarHBondContact O-N 2.99Å; E344-A347 PolarHBondContact O-N 3.3Å; E344-R348 WeakPolarHBondContact O-CB 3.49Å; E344-R348 VanDerWaalsContact O-CG 3.25Å; E344-R348 WeakPolarHBondContact O-CG 3.27Å; E344-R348 PolarHBondContact O-N 3.41Å; E344-R348 IonicContact OE2-CZ 3.19Å; E344-R348 IonicContact OE2-NE 2.76Å; E344-R348 PolarHBondContact OE2-NE 2.98Å; E344-R348 IonicContact OE2-NH2 3.7Å; E344-R348 PolarHBondContact OE2-NH2 3.06Å
345M96.8Very high94.6Very high118 Ų11899.9 Ų99.958%0.58149%0.494SS*.Hα-helixtrans-61.6-46.6177.6-74-171.2-69.300111.8T341 E342 A347 R348 A349T341-M345 WeakPolarHBondContact O-CG 3.43Å; T341-M345 PolarHBondContact O-N 3.36Å; E342-M345 HydrophobicContact CG-CE 4.36Å; E342-M345 PolarHBondContact O-N 3.25Å; M345-A347 VanDerWaalsContact C-N 3.34Å; M345-A347 PolarHBondContact O-N 2.88Å; M345-R348 PolarHBondContact O-N 3.14Å; M345-A349 PolarHBondContact O-N 3.38Å
346R96.7Very high94.2Very high137 Ų13799.7 Ų99.752%0.51750%0.497SS..Hα-helixtrans-56.8-46.2174.5-70.8171.7177.7-161.27.8111E342 L343 A349 I350E342-R346 VanDerWaalsContact CD-NH2 3.35Å; E342-R346 WeakPolarHBondContact O-CB 3.5Å; E342-R346 VanDerWaalsContact O-CG 3.28Å; E342-R346 WeakPolarHBondContact O-CG 3.25Å; E342-R346 PolarHBondContact O-N 2.95Å; E342-R346 IonicContact OE1-CZ 2.71Å; E342-R346 IonicContact OE1-NE 3.74Å; E342-R346 PolarHBondContact OE1-NE 3.27Å; E342-R346 IonicContact OE1-NH2 3.51Å; E342-R346 PolarHBondContact OE1-NH2 3.19Å; E342-R346 IonicContact OE2-NH2 3.44Å; E342-R346 PolarHBondContact OE2-NH2 2.92Å; L343-R346 PolarHBondContact O-N 3.09Å; R346-A349 PolarHBondContact O-N 3.44Å; R346-I350 WeakPolarHBondContact O-CG1 3.49Å; R346-I350 PolarHBondContact O-N 2.97Å
347A97Very high93.3Very high36 Ų36103 Ų10330%0.29851%0.506SS..Hα-helixtrans-67.7-34178.200000113.3L343 E344 M345 R351L343-A347 VanDerWaalsContact O-CB 3.26Å; L343-A347 WeakPolarHBondContact O-CB 3.49Å; L343-A347 PolarHBondContact O-N 3.45Å; E344-A347 PolarHBondContact O-N 3.3Å; M345-A347 VanDerWaalsContact C-N 3.34Å; M345-A347 PolarHBondContact O-N 2.88Å; A347-R351 WeakPolarHBondContact O-CB 3.26Å; A347-R351 WeakPolarHBondContact O-CG 3.38Å; A347-R351 PolarHBondContact O-N 3.01Å; A347-R351 VanDerWaalsContact O-N 3.16Å; A347-R351 PolarHBondContact O-NE 3.36Å
348R96.9Very high92.3Very high156 Ų156100.9 Ų100.959%0.58950%0.503SS*.Hα-helixtrans-66.2-44.3172.5-71167.8-170.6-132.98.2110.7E344 M345 R351 A352E344-R348 WeakPolarHBondContact O-CB 3.49Å; E344-R348 VanDerWaalsContact O-CG 3.25Å; E344-R348 WeakPolarHBondContact O-CG 3.27Å; E344-R348 PolarHBondContact O-N 3.41Å; E344-R348 IonicContact OE2-CZ 3.19Å; E344-R348 IonicContact OE2-NE 2.76Å; E344-R348 PolarHBondContact OE2-NE 2.98Å; E344-R348 IonicContact OE2-NH2 3.7Å; E344-R348 PolarHBondContact OE2-NH2 3.06Å; M345-R348 PolarHBondContact O-N 3.14Å; R348-R351 PolarHBondContact O-N 3.4Å; R348-A352 PolarHBondContact O-N 3.17Å; R348-A352 VanDerWaalsContact O-N 3.1Å
349A96.7Very high91.4Very high52 Ų5298.7 Ų98.743%0.4350%0.495SS..Hα-helixtrans-62.7-44.4176.500000113M345 R346 R351 A352 M353M345-A349 PolarHBondContact O-N 3.38Å; R346-A349 PolarHBondContact O-N 3.44Å; A349-R351 VanDerWaalsContact C-N 3.35Å; A349-R351 PolarHBondContact O-N 3.37Å; A349-A352 PolarHBondContact O-N 3.29Å; A349-M353 PolarHBondContact O-N 3.37Å
350I95.8Very high90.3Very high90 Ų9099.9 Ų99.946%0.46250%0.501SS..Hα-helixtrans-60.8-43.6175.9-68.7164.9000111R346 A352 M353 L354R346-I350 WeakPolarHBondContact O-CG1 3.49Å; R346-I350 PolarHBondContact O-N 2.97Å; I350-A352 VanDerWaalsContact C-N 3.32Å; I350-A352 PolarHBondContact O-N 2.73Å; I350-M353 HydrophobicContact CG1-CE 4.08Å; I350-M353 PolarHBondContact O-N 2.87Å; I350-L354 HydrophobicContact CG2-CD1 3.96Å; I350-L354 HydrophobicContact CG2-CG 4.4Å; I350-L354 WeakPolarHBondContact O-CG 3.43Å; I350-L354 PolarHBondContact O-N 2.93Å
351R94.3Very high89.1Confident150 Ų150102.9 Ų102.957%0.56652%0.517SS*.Hα-helixtrans-60.9-38.4176.4-77.6174.9-77.9-162.21112.4A347 R348 A349 L354 K355A347-R351 WeakPolarHBondContact O-CB 3.26Å; A347-R351 WeakPolarHBondContact O-CG 3.38Å; A347-R351 PolarHBondContact O-N 3.01Å; A347-R351 VanDerWaalsContact O-N 3.16Å; A347-R351 PolarHBondContact O-NE 3.36Å; R348-R351 PolarHBondContact O-N 3.4Å; A349-R351 VanDerWaalsContact C-N 3.35Å; A349-R351 PolarHBondContact O-N 3.37Å; R351-L354 PolarHBondContact O-N 3.47Å; R351-K355 WeakPolarHBondContact O-CB 3.29Å; R351-K355 PolarHBondContact O-N 3.25Å
352A93.9Very high87.7Confident56 Ų56107.6 Ų107.646%0.46353%0.531SS..Hα-helixtrans-66.4-40.1173.900000113.1R348 A349 I350 L354 K355 T356R348-A352 PolarHBondContact O-N 3.17Å; R348-A352 VanDerWaalsContact O-N 3.1Å; A349-A352 PolarHBondContact O-N 3.29Å; I350-A352 VanDerWaalsContact C-N 3.32Å; I350-A352 PolarHBondContact O-N 2.73Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-L354 PolarHBondContact O-N 2.96Å; A352-K355 PolarHBondContact O-N 2.67Å; A352-T356 PolarHBondContact O-N 3.21Å; A352-T356 VanDerWaalsContact O-N 3.13Å; A352-T356 PolarHBondContact O-OG1 3.04Å
353M91.3Very high85.7Confident107 Ų107113.6 Ų113.653%0.52757%0.565SS.*Hα-helixtrans-67-31.8175.1-70.5-169.6-69.600113.3A349 I350 T356 K357A349-M353 PolarHBondContact O-N 3.37Å; I350-M353 HydrophobicContact CG1-CE 4.08Å; I350-M353 PolarHBondContact O-N 2.87Å; M353-T356 PolarHBondContact O-OG1 2.97Å; M353-K357 WeakPolarHBondContact O-CB 3.5Å; M353-K357 VanDerWaalsContact O-CG 3.29Å; M353-K357 WeakPolarHBondContact O-CG 3.45Å; M353-K357 PolarHBondContact O-N 3.08Å
354L91Very high85.1Confident100 Ų100114.7 Ų114.752%0.52457%0.569SS.*Hα-helixtrans-77.5-36.1175.9-67.9173.9000112.3I350 R351 A352 S358I350-L354 HydrophobicContact CG2-CD1 3.96Å; I350-L354 HydrophobicContact CG2-CG 4.4Å; I350-L354 WeakPolarHBondContact O-CG 3.43Å; I350-L354 PolarHBondContact O-N 2.93Å; R351-L354 PolarHBondContact O-N 3.47Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-L354 PolarHBondContact O-N 2.96Å; L354-S358 PolarHBondContact O-N 3.19Å; L354-S358 VanDerWaalsContact O-N 3.09Å; L354-S358 PolarHBondContact O-OG 3.07Å
355K89.4Confident84.6Confident140 Ų140116.1 Ų116.161%0.60958%0.577SS**Hα-helixtrans-56.7-58.1171.9-173.284.4178.6-171.80110.7R351 A352 K357 S358 D359R351-K355 WeakPolarHBondContact O-CB 3.29Å; R351-K355 PolarHBondContact O-N 3.25Å; A352-K355 PolarHBondContact O-N 2.67Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 2.96Å; K355-S358 WeakPolarHBondContact O-CA 3.32Å; K355-S358 VanDerWaalsContact O-CB 3.3Å; K355-S358 WeakPolarHBondContact O-CB 3.31Å; K355-S358 PolarHBondContact O-N 2.85Å; K355-D359 PolarHBondContact O-N 3.12Å; K355-D359 VanDerWaalsContact O-N 3.15Å
356T82Confident83.9Confident84 Ų84115.9 Ų115.952%0.51558%0.577SS.*Hα-helixtrans-60.4-35.9-178.747.40000113.6A352 M353 S358 D359 Q360A352-T356 PolarHBondContact O-N 3.21Å; A352-T356 VanDerWaalsContact O-N 3.13Å; A352-T356 PolarHBondContact O-OG1 3.04Å; M353-T356 PolarHBondContact O-OG1 2.97Å; T356-S358 VanDerWaalsContact C-N 3.32Å; T356-S358 PolarHBondContact O-N 2.91Å; T356-D359 PolarHBondContact O-N 2.98Å; T356-Q360 WeakPolarHBondContact O-CB 3.49Å; T356-Q360 WeakPolarHBondContact O-CG 3.09Å; T356-Q360 PolarHBondContact O-N 3.33Å; T356-Q360 VanDerWaalsContact O-N 3.1Å
357K75.4Confident83.1Confident141 Ų141114.7 Ų114.761%0.61358%0.581SS**Hα-helixtrans-67.4-28.8171.8-76.7177.9179.1-177.50113.9M353 K355 L361M353-K357 WeakPolarHBondContact O-CB 3.5Å; M353-K357 VanDerWaalsContact O-CG 3.29Å; M353-K357 WeakPolarHBondContact O-CG 3.45Å; M353-K357 PolarHBondContact O-N 3.08Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 2.96Å; K357-L361 WeakPolarHBondContact O-CG 3.49Å
358S72.4Confident82.3Confident67 Ų67119.6 Ų119.647%0.46960%0.598SS.*Hα-helixtrans-74.9-33.8177.3-55.20000111.9L354 K355 T356 L361L354-S358 PolarHBondContact O-N 3.19Å; L354-S358 VanDerWaalsContact O-N 3.09Å; L354-S358 PolarHBondContact O-OG 3.07Å; K355-S358 WeakPolarHBondContact O-CA 3.32Å; K355-S358 VanDerWaalsContact O-CB 3.3Å; K355-S358 WeakPolarHBondContact O-CB 3.31Å; K355-S358 PolarHBondContact O-N 2.85Å; T356-S358 VanDerWaalsContact C-N 3.32Å; T356-S358 PolarHBondContact O-N 2.91Å; S358-L361 PolarHBondContact O-N 3.2Å
359D73.7Confident81.3Confident86 Ų86117.2 Ų117.246%0.4660%0.599SS.*Hα-helixtrans-76.1-36.1177.4-57.3-38.9000111.2K355 T356 L361 K362K355-D359 PolarHBondContact O-N 3.12Å; K355-D359 VanDerWaalsContact O-N 3.15Å; T356-D359 PolarHBondContact O-N 2.98Å; D359-L361 PolarHBondContact O-N 3.34Å; D359-K362 PolarHBondContact O-N 3.18Å
360Q72Confident80.2Confident147 Ų147121.9 Ų121.969%0.68761%0.611SS**THydrogen-bonded Turntrans-65.8-10.3171.5-72-84.18.100114.6T356T356-Q360 WeakPolarHBondContact O-CB 3.49Å; T356-Q360 WeakPolarHBondContact O-CG 3.09Å; T356-Q360 PolarHBondContact O-N 3.33Å; T356-Q360 VanDerWaalsContact O-N 3.1Å
361L71.1Confident79Confident148 Ų148124.3 Ų124.378%0.77562%0.622SS**THydrogen-bonded Turntrans-10514.3176.4-74.1170.2000112.8K357 S358 D359K357-L361 WeakPolarHBondContact O-CG 3.49Å; S358-L361 PolarHBondContact O-N 3.2Å; D359-L361 PolarHBondContact O-N 3.34Å
362K67.2Low77.7Confident177 Ų177122.2 Ų122.277%0.7763%0.627SS**  trans-120.519.5175.2-70.1-175.6174.6-177.90113D359D359-K362 PolarHBondContact O-N 3.18Å
363L53.1Low76.2Confident213 Ų213128.2 Ų128.2100%1.11564%0.642SS**  trans-127.20173.4-88.7157.2000108.8

Retrieved 363 of 363 residues in 179.2 ms (Link to these results)