A0A096N4H0_PAPAN Loading...

Coiled-coil domain containing 120

AlphaFold DB , UniProt , Accession A0A096N4H0, Species PAPAN (Papio anubis, Olive baboon), Gene CCDC120, Length 698 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low36.9Very low231 Ų231158.1 Ų158.1100%1.13878%0.782SS**  0148.10-73.2-176.3175.900108.9
2R35.3Very low36.3Very low215 Ų215161.3 Ų161.381%0.81179%0.794SS**  trans42.1133.3151.7-62.4-178.7-179.1-164.9-0.6118.6
3R35.7Very low35.9Very low215 Ų215160.5 Ų160.581%0.81180%0.803SS**  cis-160.1146.316.3-127.8171.3-174.4173.8-2.1111.7
4E40.1Very low35.4Very low159 Ų159153.5 Ų153.574%0.74379%0.792SS**  trans-14.5145.5143.5-78.4-64136.800116.9G6E4-G6 PolarHBondContact OE2-N 3.3Å
5P50.8Low36.8Very low127 Ų127150.7 Ų150.783%0.82579%0.787SS**  -140.8142.566.739-22.9000118.8
6G34.8Very low36.6Very low54 Ų54149.9 Ų149.956%0.55779%0.785SS**  trans-76.1-155.9152.700000113.9E4E4-G6 PolarHBondContact OE2-N 3.3Å
7P50.1Low36.6Very low128 Ų128149.3 Ų149.383%0.83178%0.78SS**  cis-127.8-168.920.743.8-28.8000115.9
8R30.8Very low36.1Very low197 Ų197149.9 Ų149.974%0.74378%0.778SS**  trans-81.8-171.5179.7-49.4167.2173.2171.8-5.4113.7
9Y32.5Very low35.9Very low175 Ų175147.8 Ų147.869%0.68677%0.773SS**  trans102.4146.9150.9-60.8-76.2000116.2
10Q29.2Very low35.5Very low176 Ų176147.8 Ų147.882%0.82277%0.774SS**  cis-171.8162.9-25.1-174.4165.43400109.2
11G31.3Very low35.4Very low62 Ų62146 Ų14664%0.63977%0.773SS**  trans98134.6-179.600000110.9
12Q30.4Very low35.2Very low196 Ų196143.5 Ų143.592%0.91676%0.759SS**  cis52.993.822.4-75.4-164.217.800114.8
13V30.4Very low35Very low151 Ų151144.8 Ų144.892%0.91576%0.764SS**  trans-129.8146.2136-177.60000106.9
14G28.6Very low34.7Very low63 Ų63139.5 Ų139.565%0.64976%0.756SS**  trans-83.6-148.7176.400000113.4
15P56.8Low34.1Very low111 Ų111139.8 Ų139.872%0.72176%0.761SS**  trans-126.1-169.6-135.534.7-14.8000115.4
16D34.4Very low33Very low139 Ų139138.5 Ų138.574%0.74376%0.755SS**  trans99.2139.3144.5-71.4-25.2000122.3
17I35.3Very low32.5Very low139 Ų139141 Ų14171%0.71376%0.764SS**  trans71.2110.2156.7-61.6149.2000118.4
18H28.4Very low31.3Very low161 Ų161140.6 Ų140.675%0.74576%0.763SS**  -158112.8106.5-122.5-76.4000115.6
19T31.8Very low31.3Very low109 Ų109138 Ų13867%0.66976%0.759SS**  trans42.3128145.155.20000123.6
20D28.7Very low31.2Very low148 Ų148135.8 Ų135.879%0.79177%0.766SS**  trans-40.9154.2155.8-51.9-80.7000117
21S32.2Very low31.5Very low110 Ų110136.4 Ų136.477%0.76976%0.761SS**  172.9124.3106.3-72.80000114.7
22E31.3Very low31.6Very low179 Ų179138.8 Ų138.884%0.83677%0.765SS**  trans26.2129.6148.3-52.8-165.1110.800123.3
23R31.3Very low31.5Very low242 Ų242136.5 Ų136.591%0.91376%0.759SS**  trans-16190.5135.3-112172.2-157.8-169.86.8115
24T29.1Very low31.6Very low104 Ų104138.4 Ų138.464%0.63875%0.751SS**  trans19139.4130.959.60000121.9
25L28.5Very low31.6Very low164 Ų164140.1 Ų140.186%0.85975%0.753SS**  trans71.8160.1150.4-62.5160.1000117.7
26S26.5Very low30.6Very low100 Ų100140.7 Ų140.770%0.69975%0.754SS**  cis-173149-28.1-174.80000112
27S24.8Very low30.6Very low106 Ų106144 Ų14474%0.74176%0.762SS**  trans70.9167.6150.7-149.70000122.2
28C25.3Very low31.1Very low120 Ų120146.6 Ų146.681%0.81177%0.773SS**  trans73.9126.9162.1-69.10000121.4
29Q30.4Very low31.6Very low142 Ų142147.7 Ų147.766%0.66478%0.779SS**  trans-75.7174.4158.9-59.3176.85.600110.3
30P29.6Very low32.4Very low129 Ų129149.3 Ų149.384%0.83879%0.788SS**  -130.2137.7103.935.8-30.2000114.1
31R36Very low33.2Very low189 Ų189150.4 Ų150.471%0.71379%0.786SS**  trans-76.2152.7158.4-77.4170.1170.4-175.9-3.1109.3
32P34.3Very low34.1Very low112 Ų112148.4 Ų148.473%0.72778%0.783SS**  -139145.9115.729.9-14.6000115.3
33L28.6Very low34.7Very low148 Ų148146.4 Ų146.478%0.77577%0.774SS**  trans48.889.7144-57.2176.5000119.2
34Y31.7Very low35.6Very low192 Ų192142.4 Ų142.475%0.75377%0.769SS**  trans-52.1135.3145.533.3-92.7000112.3
35S28.4Very low36.5Very low99 Ų99144.6 Ų144.669%0.69278%0.775SS**  179.1140.8125.5-171.80000113.2
36T36.4Very low37.4Very low122 Ų122141.9 Ų141.975%0.74877%0.771SS**  trans48.8106.5152.746.20000120.3
37K34.8Very low37.8Very low210 Ų210141.7 Ų141.791%0.91377%0.769SS**  -153.2156.2100.3-103.2159.7-174.4173.60110.6
38M44.5Very low39.2Very low192 Ų192142.6 Ų142.695%0.94677%0.772SS**  trans-80.8132.5-178.3-70.1173168.200110.6
39E40.3Very low40.4Very low185 Ų185142.7 Ų142.786%0.86477%0.769SS**  trans-118.6119.2168.4-171.3169.6-140.500108.8K41E39-K41 PolarHBondContact O-N 2.7Å
40V48.3Very low41.2Very low142 Ų142145.6 Ų145.686%0.86178%0.78SS**  trans-79.795.6-176.2178.90000108.7G42V40-G42 VanDerWaalsContact C-N 3.35Å; V40-G42 PolarHBondContact O-N 3.38Å
41K45.8Very low42.7Very low171 Ų171147.7 Ų147.774%0.74378%0.784SS**  trans-71.387.5-178.2-158.7169.5-172.2166.20111E39 Q43E39-K41 PolarHBondContact O-N 2.7Å; K41-Q43 VanDerWaalsContact C-N 3.25Å; K41-Q43 PolarHBondContact O-N 3.46Å
42G49.2Very low42.8Very low68 Ų68143 Ų14370%0.70179%0.786SS**  trans-6678.1175.800000112.1V40 L44V40-G42 VanDerWaalsContact C-N 3.35Å; V40-G42 PolarHBondContact O-N 3.38Å; G42-L44 PolarHBondContact O-N 2.81Å
43Q44.7Very low43.4Very low138 Ų138143.6 Ų143.665%0.64579%0.79SS**  trans-7492.8-175.5-151.496.317.800110.2K41 I45K41-Q43 VanDerWaalsContact C-N 3.25Å; K41-Q43 PolarHBondContact O-N 3.46Å; Q43-I45 PolarHBondContact O-N 2.65Å
44L51.5Low44.5Very low158 Ų158142 Ų14283%0.82780%0.798SS**  trans-62116.8171.8-72.6173.4000109.9G42 S46G42-L44 PolarHBondContact O-N 2.81Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 3.17Å
45I46.4Very low45.4Very low149 Ų149136.6 Ų136.676%0.76479%0.793SS**  trans-8471.5-178.5-47.8-179.7000110Q43 S47Q43-I45 PolarHBondContact O-N 2.65Å; I45-S47 PolarHBondContact O-N 3.09Å; I45-S47 VanDerWaalsContact O-N 3.14Å
46S47.8Very low46.7Very low108 Ų108139.8 Ų139.876%0.75580%0.801SS**  trans-61.8110.9164.2-63.20000108.8L44 P48L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 3.17Å; S46-P48 WeakPolarHBondContact O-CD 3.37Å
47S34.1Very low47.1Very low95 Ų95142.7 Ų142.766%0.66480%0.804SS**  trans-75.2119-170.2-67.40000112.3I45 T49I45-S47 PolarHBondContact O-N 3.09Å; I45-S47 VanDerWaalsContact O-N 3.14Å; S47-T49 PolarHBondContact O-N 3.44Å; S47-T49 VanDerWaalsContact O-N 3.16Å
48P55.4Low48Very low125 Ų125135.6 Ų135.681%0.81279%0.791SS**  trans-91.670-171.736.7-35.4000112.3S46S46-P48 WeakPolarHBondContact O-CD 3.37Å
49T50.3Low48.4Very low122 Ų122135.4 Ų135.475%0.74879%0.787SS**  trans-131.753179.550.80000113.5S47S47-T49 PolarHBondContact O-N 3.44Å; S47-T49 VanDerWaalsContact O-N 3.16Å
50F46.7Very low49.1Very low204 Ų204129.5 Ų129.590%0.89577%0.77SS**  trans-148.360.9159.3-146.3-86.3000112.9
51N62.5Low49.8Very low173 Ų173124.5 Ų124.593%0.92574%0.744SS**  trans-151.3101.3161.9-99.9-32.2000109.4
52A36.9Very low50.9Low89 Ų89120.3 Ų120.374%0.73673%0.734SS**  trans-127.2148168.900000107.5A54A52-A54 PolarHBondContact O-N 3.43Å
53P47.5Very low52.2Low126 Ų126122.2 Ų122.282%0.81873%0.725SS**  trans-68.4127.1-157.924.9-34.6000113.7A55P53-A55 PolarHBondContact O-N 3.14Å
54A50.4Low53.9Low114 Ų114120.1 Ų120.194%0.94272%0.721SS**  trans-80.853.8177.700000112.7A52A52-A54 PolarHBondContact O-N 3.43Å
55A52Low55.4Low79 Ų79119.7 Ų119.765%0.65371%0.712SS**SBendtrans-155.684.7178.400000112.2P53P53-A55 PolarHBondContact O-N 3.14Å
56L54.2Low57.2Low166 Ų166115 Ų11587%0.86969%0.693SS**SBendtrans175.3-13.6150.1-101.6158.9000114.4
57F44.9Very low59.3Low183 Ų183114.6 Ų114.680%0.80368%0.679SS**  trans-109.882.5177.1-69.2-78.3000112.2
58G54.2Low62.1Low61 Ų61119.2 Ų119.263%0.62968%0.682SS**  trans-67.3160.8162.800000112A60G58-A60 VanDerWaalsContact C-N 3.26Å; G58-A60 PolarHBondContact O-N 3.29Å
59E53.8Low64Low188 Ų188118.2 Ų118.288%0.87967%0.669SS**SBendtrans60.9-43.9169.1-54.5-164.1125.400119.1P62E59-P62 VanDerWaalsContact O-CD 3.27Å; E59-P62 WeakPolarHBondContact O-CD 3.19Å; E59-P62 WeakPolarHBondContact O-CG 3.31Å
60A54.2Low66.1Low60 Ų60120 Ų12050%0.49666%0.662SS.*Hα-helixtrans-76.4-27.3-178.400000113.9G58 Q63 V64G58-A60 VanDerWaalsContact C-N 3.26Å; G58-A60 PolarHBondContact O-N 3.29Å; A60-Q63 PolarHBondContact O-N 2.84Å; A60-V64 PolarHBondContact O-N 3.44Å
61A64Low68.5Low38 Ų38111.9 Ų111.931%0.31464%0.636SS.*Hα-helixtrans-62.4-36.7-174.700000116.9K65A61-K65 VanDerWaalsContact O-CD 3.26Å; A61-K65 WeakPolarHBondContact O-CD 3.13Å; A61-K65 WeakPolarHBondContact O-CE 3.24Å; A61-K65 VanDerWaalsContact O-CG 3.22Å; A61-K65 WeakPolarHBondContact O-CG 3.2Å
62P68.6Low70.1Confident82 Ų82108.3 Ų108.353%0.53262%0.616SS.*Hα-helixtrans-71.2-37.9174.726-35.4000113.2E59 K65 S66E59-P62 VanDerWaalsContact O-CD 3.27Å; E59-P62 WeakPolarHBondContact O-CD 3.19Å; E59-P62 WeakPolarHBondContact O-CG 3.31Å; P62-K65 WeakPolarHBondContact O-CB 3.41Å; P62-K65 PolarHBondContact O-N 2.83Å; P62-S66 PolarHBondContact O-N 3.11Å
63Q75.8Confident73Confident109 Ų109107.6 Ų107.651%0.50960%0.599SS.*Hα-helixtrans-62.3-51.5-176.4-170.270.6800111.5A60 K65 S66 E67A60-Q63 PolarHBondContact O-N 2.84Å; Q63-K65 PolarHBondContact O-N 3.1Å; Q63-S66 PolarHBondContact O-N 3.05Å; Q63-S66 VanDerWaalsContact O-N 3.14Å; Q63-S66 PolarHBondContact O-OG 3.42Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.07Å; Q63-E67 PolarHBondContact NE2-OE1 2.72Å; Q63-E67 VanDerWaalsContact NE2-OE1 3.13Å; Q63-E67 WeakPolarHBondContact O-CB 3.43Å; Q63-E67 WeakPolarHBondContact O-CG 3.49Å; Q63-E67 PolarHBondContact O-N 3.36Å
64V80.8Confident75.3Confident94 Ų94104.7 Ų104.757%0.5758%0.577SS**Hα-helixtrans-63-27.5178.3179.80000112.1A60 R68A60-V64 PolarHBondContact O-N 3.44Å; V64-R68 VanDerWaalsContact O-CB 3.24Å; V64-R68 WeakPolarHBondContact O-CB 3.31Å; V64-R68 PolarHBondContact O-N 2.7Å; V64-R68 VanDerWaalsContact O-N 3.07Å
65K81.8Confident77.6Confident148 Ų148107.5 Ų107.564%0.64356%0.563SS**Hα-helixtrans-74.8-41.8174.8-70.3170.9-170.1175.30112.2A61 P62 Q63 R68 L69A61-K65 VanDerWaalsContact O-CD 3.26Å; A61-K65 WeakPolarHBondContact O-CD 3.13Å; A61-K65 WeakPolarHBondContact O-CE 3.24Å; A61-K65 VanDerWaalsContact O-CG 3.22Å; A61-K65 WeakPolarHBondContact O-CG 3.2Å; P62-K65 WeakPolarHBondContact O-CB 3.41Å; P62-K65 PolarHBondContact O-N 2.83Å; Q63-K65 PolarHBondContact O-N 3.1Å; K65-R68 PolarHBondContact O-N 2.73Å; K65-L69 WeakPolarHBondContact O-CB 3.5Å; K65-L69 PolarHBondContact O-N 3.3Å
66S85.4Confident79.7Confident52 Ų52109.7 Ų109.736%0.36456%0.56SS.*Hα-helixtrans-70.6-36.9178.570.70000111.7P62 Q63 L69 R70P62-S66 PolarHBondContact O-N 3.11Å; Q63-S66 PolarHBondContact O-N 3.05Å; Q63-S66 VanDerWaalsContact O-N 3.14Å; Q63-S66 PolarHBondContact O-OG 3.42Å; S66-L69 PolarHBondContact O-N 2.87Å; S66-R70 WeakPolarHBondContact O-CB 3.45Å; S66-R70 PolarHBondContact O-N 3.29Å
67E91.6Very high81.8Confident99 Ų99108.7 Ų108.746%0.46355%0.545SS..Hα-helixtrans-64.1-44171.3-72.2170.1-173.300111.9Q63 L69 R70 G71Q63-E67 WeakPolarHBondContact CG-OE1 3.07Å; Q63-E67 PolarHBondContact NE2-OE1 2.72Å; Q63-E67 VanDerWaalsContact NE2-OE1 3.13Å; Q63-E67 WeakPolarHBondContact O-CB 3.43Å; Q63-E67 WeakPolarHBondContact O-CG 3.49Å; Q63-E67 PolarHBondContact O-N 3.36Å; E67-L69 PolarHBondContact O-N 3.34Å; E67-R70 PolarHBondContact O-N 3.3Å; E67-G71 PolarHBondContact O-N 3.01Å
68R92.9Very high84.2Confident192 Ų192103.8 Ų103.873%0.72553%0.53SS*.Hα-helixtrans-63.7-38.8174.3-177.6174.1177.1171.1-0.7112.4V64 K65 L72V64-R68 VanDerWaalsContact O-CB 3.24Å; V64-R68 WeakPolarHBondContact O-CB 3.31Å; V64-R68 PolarHBondContact O-N 2.7Å; V64-R68 VanDerWaalsContact O-N 3.07Å; K65-R68 PolarHBondContact O-N 2.73Å; R68-L72 WeakPolarHBondContact O-CG 3.36Å; R68-L72 PolarHBondContact O-N 3.42Å; R68-L72 VanDerWaalsContact O-N 3.11Å
69L95.6Very high86.3Confident104 Ų104106.9 Ų106.955%0.54553%0.531SS..Hα-helixtrans-65.5-45.8175.317959.4000111.1K65 S66 E67 G71 L72 L73K65-L69 WeakPolarHBondContact O-CB 3.5Å; K65-L69 PolarHBondContact O-N 3.3Å; S66-L69 PolarHBondContact O-N 2.87Å; E67-L69 PolarHBondContact O-N 3.34Å; L69-G71 PolarHBondContact O-N 3.31Å; L69-L72 WeakPolarHBondContact O-CB 3.49Å; L69-L72 PolarHBondContact O-N 2.94Å; L69-L72 VanDerWaalsContact O-N 3.08Å; L69-L73 HydrophobicContact CD1-CD1 4.46Å; L69-L73 HydrophobicContact CD1-CG 4.46Å; L69-L73 HydrophobicContact CG-CD1 4.22Å; L69-L73 WeakPolarHBondContact O-CG 3.18Å; L69-L73 PolarHBondContact O-N 2.98Å
70R94.7Very high88.4Confident160 Ų160103.5 Ų103.560%0.60452%0.515SS*.Hα-helixtrans-56.3-50174.4-171.7-178.6-58.81793.1111.2S66 E67 L72 L73 D74S66-R70 WeakPolarHBondContact O-CB 3.45Å; S66-R70 PolarHBondContact O-N 3.29Å; E67-R70 PolarHBondContact O-N 3.3Å; R70-L72 PolarHBondContact O-N 3.35Å; R70-L73 PolarHBondContact O-N 2.95Å; R70-D74 WeakPolarHBondContact CG-OD2 3.43Å; R70-D74 PolarHBondContact O-N 3.39Å
71G96.4Very high90.4Very high32 Ų32106 Ų10633%0.3352%0.517SS..Hα-helixtrans-63.7-18.8176.500000115.2E67 L69 R75E67-G71 PolarHBondContact O-N 3.01Å; L69-G71 PolarHBondContact O-N 3.31Å; G71-R75 VanDerWaalsContact O-CD 3.23Å; G71-R75 WeakPolarHBondContact O-CD 3.3Å; G71-R75 WeakPolarHBondContact O-CG 3.49Å; G71-R75 PolarHBondContact O-N 3.24Å
72L97.3Very high92Very high98 Ų98106.5 Ų106.551%0.51352%0.521SS..Hα-helixtrans-83.2-40.5169.3-72.8171.2000111.9R68 L69 R70 R75 Q76R68-L72 WeakPolarHBondContact O-CG 3.36Å; R68-L72 PolarHBondContact O-N 3.42Å; R68-L72 VanDerWaalsContact O-N 3.11Å; L69-L72 WeakPolarHBondContact O-CB 3.49Å; L69-L72 PolarHBondContact O-N 2.94Å; L69-L72 VanDerWaalsContact O-N 3.08Å; R70-L72 PolarHBondContact O-N 3.35Å; L72-R75 PolarHBondContact O-N 3Å; L72-Q76 PolarHBondContact O-N 3.33Å
73L97Very high93.4Very high74 Ų74106.8 Ų106.839%0.38752%0.517SS..Hα-helixtrans-64.4-38.6175.1-67.2169.2000111.8L69 R70 Q76 R77L69-L73 HydrophobicContact CD1-CD1 4.46Å; L69-L73 HydrophobicContact CD1-CG 4.46Å; L69-L73 HydrophobicContact CG-CD1 4.22Å; L69-L73 WeakPolarHBondContact O-CG 3.18Å; L69-L73 PolarHBondContact O-N 2.98Å; R70-L73 PolarHBondContact O-N 2.95Å; L73-Q76 WeakPolarHBondContact O-CB 3.38Å; L73-Q76 PolarHBondContact O-N 3.39Å; L73-R77 VanDerWaalsContact O-CG 3.31Å; L73-R77 WeakPolarHBondContact O-CG 3.39Å; L73-R77 PolarHBondContact O-N 3.46Å
74D96.6Very high94.3Very high65 Ų65105.4 Ų105.435%0.34851%0.513SS..Hα-helixtrans-73-30177.4-62.5-30.5000112.1R70 R77 T78R70-D74 WeakPolarHBondContact CG-OD2 3.43Å; R70-D74 PolarHBondContact O-N 3.39Å; D74-R77 IonicContact OD1-CZ 3.77Å; D74-R77 IonicContact OD1-NH1 2.72Å; D74-R77 PolarHBondContact OD1-NH1 3.02Å; D74-T78 WeakPolarHBondContact O-CG2 3.47Å; D74-T78 PolarHBondContact O-N 2.84Å; D74-T78 PolarHBondContact O-OG1 2.73Å
75R96.9Very high95.1Very high173 Ų173105.6 Ų105.665%0.65351%0.511SS*.Hα-helixtrans-68.4-37.5166.7-74.6171.3-171-160.41.1112.2G71 L72 T78 L79G71-R75 VanDerWaalsContact O-CD 3.23Å; G71-R75 WeakPolarHBondContact O-CD 3.3Å; G71-R75 WeakPolarHBondContact O-CG 3.49Å; G71-R75 PolarHBondContact O-N 3.24Å; L72-R75 PolarHBondContact O-N 3Å; R75-T78 WeakPolarHBondContact CA-OG1 3.26Å; R75-T78 PolarHBondContact O-OG1 3.37Å; R75-L79 VanDerWaalsContact O-CB 3.3Å; R75-L79 WeakPolarHBondContact O-CB 3.49Å; R75-L79 WeakPolarHBondContact O-CD1 3.35Å; R75-L79 WeakPolarHBondContact O-CG 3.48Å; R75-L79 PolarHBondContact O-N 2.99Å
76Q97.2Very high95.8Very high125 Ų125104.1 Ų104.158%0.58450%0.504SS*.Hα-helixtrans-64.1-45.1174.4-173.8-176.88.200111.1L72 L73 L79 Q80L72-Q76 PolarHBondContact O-N 3.33Å; L73-Q76 WeakPolarHBondContact O-CB 3.38Å; L73-Q76 PolarHBondContact O-N 3.39Å; Q76-L79 PolarHBondContact O-N 2.95Å; Q76-Q80 WeakPolarHBondContact O-CB 3.27Å; Q76-Q80 PolarHBondContact O-N 3.01Å
77R97.4Very high96.3Very high146 Ų146105.1 Ų105.155%0.55151%0.505SS*.Hα-helixtrans-58.5-55.8175.8-72.7163.5172.3164.2-6.4112L73 D74 L79 Q80 E81L73-R77 VanDerWaalsContact O-CG 3.31Å; L73-R77 WeakPolarHBondContact O-CG 3.39Å; L73-R77 PolarHBondContact O-N 3.46Å; D74-R77 IonicContact OD1-CZ 3.77Å; D74-R77 IonicContact OD1-NH1 2.72Å; D74-R77 PolarHBondContact OD1-NH1 3.02Å; R77-L79 VanDerWaalsContact C-N 3.31Å; R77-L79 PolarHBondContact O-N 3.33Å; R77-Q80 WeakPolarHBondContact O-CA 3.35Å; R77-Q80 WeakPolarHBondContact O-CB 3.32Å; R77-Q80 PolarHBondContact O-N 3.03Å; R77-E81 WeakPolarHBondContact O-CG 3.42Å; R77-E81 PolarHBondContact O-N 3.17Å
78T97Very high96.4Very high79 Ų79104.6 Ų104.649%0.48550%0.503SS..Hα-helixtrans-62.3-33.7-179.647.30000113.4D74 R75 A82D74-T78 WeakPolarHBondContact O-CG2 3.47Å; D74-T78 PolarHBondContact O-N 2.84Å; D74-T78 PolarHBondContact O-OG1 2.73Å; R75-T78 WeakPolarHBondContact CA-OG1 3.26Å; R75-T78 PolarHBondContact O-OG1 3.37Å; T78-A82 VanDerWaalsContact O-CB 3.28Å; T78-A82 WeakPolarHBondContact O-CB 3.41Å; T78-A82 PolarHBondContact O-N 3.32Å
79L97.9Very high96.5Very high127 Ų12799.8 Ų99.867%0.66549%0.489SS*.Hα-helixtrans-69.5-38.4171.1-72.8170.9000112.7R75 Q76 R77 L83R75-L79 VanDerWaalsContact O-CB 3.3Å; R75-L79 WeakPolarHBondContact O-CB 3.49Å; R75-L79 WeakPolarHBondContact O-CD1 3.35Å; R75-L79 WeakPolarHBondContact O-CG 3.48Å; R75-L79 PolarHBondContact O-N 2.99Å; Q76-L79 PolarHBondContact O-N 2.95Å; R77-L79 VanDerWaalsContact C-N 3.31Å; R77-L79 PolarHBondContact O-N 3.33Å; L79-L83 WeakPolarHBondContact O-CB 3.3Å; L79-L83 PolarHBondContact O-N 3.26Å
80Q96.9Very high96.4Very high116 Ų11699 Ų9954%0.54249%0.485SS..Hα-helixtrans-68.5-38.2176.7-171.862.848.300112Q76 R77 L83 N84Q76-Q80 WeakPolarHBondContact O-CB 3.27Å; Q76-Q80 PolarHBondContact O-N 3.01Å; R77-Q80 WeakPolarHBondContact O-CA 3.35Å; R77-Q80 WeakPolarHBondContact O-CB 3.32Å; R77-Q80 PolarHBondContact O-N 3.03Å; Q80-L83 PolarHBondContact O-N 3.09Å; Q80-N84 WeakPolarHBondContact O-CB 3.47Å; Q80-N84 PolarHBondContact O-N 3.05Å
81E97.3Very high96.1Very high114 Ų11494.8 Ų94.853%0.53347%0.468SS..Hα-helixtrans-64.8-47.8173.1-71.6158-161.200111.1R77 L83 N84 L85R77-E81 WeakPolarHBondContact O-CG 3.42Å; R77-E81 PolarHBondContact O-N 3.17Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.39Å; E81-N84 PolarHBondContact O-N 3.1Å; E81-L85 WeakPolarHBondContact O-CG 3.42Å; E81-L85 PolarHBondContact O-N 2.84Å
82A97.3Very high95.8Very high47 Ų4799 Ų9939%0.38848%0.478SS..Hα-helixtrans-61-39.8175.400000112.4T78 L85 K86T78-A82 VanDerWaalsContact O-CB 3.28Å; T78-A82 WeakPolarHBondContact O-CB 3.41Å; T78-A82 PolarHBondContact O-N 3.32Å; A82-L85 PolarHBondContact O-N 3.32Å; A82-K86 WeakPolarHBondContact O-CG 3.42Å; A82-K86 PolarHBondContact O-N 3.45Å
83L96.9Very high95.4Very high88 Ų8897.5 Ų97.546%0.46147%0.473SS..Hα-helixtrans-63.2-45.5173.6177.860.4000111.5L79 Q80 E81 L85 K86 L87L79-L83 WeakPolarHBondContact O-CB 3.3Å; L79-L83 PolarHBondContact O-N 3.26Å; Q80-L83 PolarHBondContact O-N 3.09Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.39Å; L83-L85 PolarHBondContact O-N 3.48Å; L83-K86 PolarHBondContact O-N 2.87Å; L83-L87 HydrophobicContact CD1-CD1 4.27Å; L83-L87 HydrophobicContact CD1-CG 4.32Å; L83-L87 HydrophobicContact CG-CD1 4.1Å; L83-L87 WeakPolarHBondContact O-CG 3.27Å; L83-L87 PolarHBondContact O-N 2.92Å
84N96.2Very high94.9Very high80 Ų8094.7 Ų94.743%0.42846%0.459SS..Hα-helixtrans-60.5-45.6177.3-167.3-44.5000111.1Q80 E81 K86 L87 Q88Q80-N84 WeakPolarHBondContact O-CB 3.47Å; Q80-N84 PolarHBondContact O-N 3.05Å; E81-N84 PolarHBondContact O-N 3.1Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.47Å; N84-L87 PolarHBondContact O-N 3.04Å; N84-Q88 WeakPolarHBondContact O-CG 3.48Å; N84-Q88 PolarHBondContact O-N 3.33Å; N84-Q88 PolarHBondContact OD1-NE2 2.9Å
85L96.6Very high94.3Very high98 Ų9895.6 Ų95.651%0.51346%0.463SS..Hα-helixtrans-57.7-42.8174.3-71.3171.6000112.3E81 A82 L83 Q88 E89E81-L85 WeakPolarHBondContact O-CG 3.42Å; E81-L85 PolarHBondContact O-N 2.84Å; A82-L85 PolarHBondContact O-N 3.32Å; L83-L85 PolarHBondContact O-N 3.48Å; L85-Q88 PolarHBondContact O-N 2.96Å; L85-E89 WeakPolarHBondContact O-CG 3.36Å; L85-E89 PolarHBondContact O-N 3.15Å
86K96.9Very high93.6Very high118 Ų11893.4 Ų93.451%0.51346%0.46SS..Hα-helixtrans-68.1-34.7176.8-67-68150.6-153.80113.1A82 L83 N84 E89 L90A82-K86 WeakPolarHBondContact O-CG 3.42Å; A82-K86 PolarHBondContact O-N 3.45Å; L83-K86 PolarHBondContact O-N 2.87Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.47Å; K86-E89 WeakPolarHBondContact CD-OE2 3.36Å; K86-E89 IonicContact NZ-OE1 3.37Å; K86-E89 PolarHBondContact NZ-OE1 2.96Å; K86-E89 IonicContact NZ-OE2 3.24Å; K86-E89 PolarHBondContact NZ-OE2 3.4Å; K86-L90 WeakPolarHBondContact O-CB 3.44Å; K86-L90 PolarHBondContact O-N 2.83Å
87L95.4Very high92.9Very high72 Ų7292.4 Ų92.438%0.37746%0.456SS..Hα-helixtrans-68-37172.4-67.9168.6000111.9L83 N84 L90 R91 P109L83-L87 HydrophobicContact CD1-CD1 4.27Å; L83-L87 HydrophobicContact CD1-CG 4.32Å; L83-L87 HydrophobicContact CG-CD1 4.1Å; L83-L87 WeakPolarHBondContact O-CG 3.27Å; L83-L87 PolarHBondContact O-N 2.92Å; N84-L87 PolarHBondContact O-N 3.04Å; L87-L90 PolarHBondContact O-N 3.24Å; L87-R91 WeakPolarHBondContact O-CB 3.41Å; L87-R91 PolarHBondContact O-N 2.82Å; L87-P109 HydrophobicContact CD2-CB 4.42Å; L87-P109 HydrophobicContact CD2-CG 3.79Å
88Q94.5Very high92.1Very high89 Ų8985.6 Ų85.642%0.41643%0.43SS..Hα-helixtrans-68.5-40.6173.7-70.3-178.232.100112.9N84 L85 K92N84-Q88 WeakPolarHBondContact O-CG 3.48Å; N84-Q88 PolarHBondContact O-N 3.33Å; N84-Q88 PolarHBondContact OD1-NE2 2.9Å; L85-Q88 PolarHBondContact O-N 2.96Å; Q88-K92 WeakPolarHBondContact O-CD 3.46Å; Q88-K92 VanDerWaalsContact O-CG 3.27Å; Q88-K92 WeakPolarHBondContact O-CG 3.43Å; Q88-K92 PolarHBondContact O-N 3.31Å
89E94.4Very high91.2Very high91 Ų9186.9 Ų86.943%0.42543%0.431SS..Hα-helixtrans-59.6-49.5171.7-75.7173.5-160.300110.7L85 K86 R91 K92 V93L85-E89 WeakPolarHBondContact O-CG 3.36Å; L85-E89 PolarHBondContact O-N 3.15Å; K86-E89 WeakPolarHBondContact CD-OE2 3.36Å; K86-E89 IonicContact NZ-OE1 3.37Å; K86-E89 PolarHBondContact NZ-OE1 2.96Å; K86-E89 IonicContact NZ-OE2 3.24Å; K86-E89 PolarHBondContact NZ-OE2 3.4Å; E89-R91 PolarHBondContact O-N 2.9Å; E89-K92 WeakPolarHBondContact O-CB 3.25Å; E89-K92 PolarHBondContact O-N 3.29Å; E89-K92 VanDerWaalsContact O-N 3.17Å; E89-V93 PolarHBondContact O-N 2.94Å
90L92.6Very high89.9Confident88 Ų8888.3 Ų88.346%0.46144%0.438SS..Hα-helixtrans-59-46.9177.2-177.862.3000111.6K86 L87 K92 V93 C94 P109K86-L90 WeakPolarHBondContact O-CB 3.44Å; K86-L90 PolarHBondContact O-N 2.83Å; L87-L90 PolarHBondContact O-N 3.24Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.25Å; L90-V93 PolarHBondContact O-N 2.93Å; L90-V93 VanDerWaalsContact O-N 3.15Å; L90-C94 PolarHBondContact O-N 3.28Å; L90-C94 PolarHBondContact O-SG 2.89Å; L90-P109 HydrophobicContact CD2-CG 4.46Å
91R88.6Confident88.6Confident70 Ų7086.5 Ų86.526%0.26444%0.435SS..Hα-helixtrans-58.9-37.4176.5-177.2172.2170.9148.1-4.5112.1L87 E89 L95 P109 E114L87-R91 WeakPolarHBondContact O-CB 3.41Å; L87-R91 PolarHBondContact O-N 2.82Å; E89-R91 PolarHBondContact O-N 2.9Å; R91-L95 HydrophobicContact CG-CD1 4.14Å; R91-L95 WeakPolarHBondContact O-CB 3.47Å; R91-L95 WeakPolarHBondContact O-CD1 3.46Å; R91-L95 VanDerWaalsContact O-CG 3.22Å; R91-L95 WeakPolarHBondContact O-CG 3.01Å; R91-L95 PolarHBondContact O-N 3.39Å; R91-L95 VanDerWaalsContact O-N 3.11Å; R91-P109 PolarHBondContact NH1-O 2.77Å; R91-E114 IonicContact CZ-OE2 3.5Å; R91-E114 VanDerWaalsContact CZ-OE2 3.23Å; R91-E114 IonicContact NH1-OE2 2.77Å; R91-E114 PolarHBondContact NH1-OE2 3.48Å; R91-E114 IonicContact NH2-OE1 2.78Å; R91-E114 PolarHBondContact NH2-OE1 2.88Å; R91-E114 IonicContact NH2-OE2 3.21Å; R91-E114 PolarHBondContact NH2-OE2 2.89Å
92K91.4Very high87Confident121 Ų12181.7 Ų81.753%0.52642%0.416SS..Hα-helixtrans-65.5-45.4174.4-71.1162.6-172.8168.80111.8Q88 E89 L90 L95 Q96Q88-K92 WeakPolarHBondContact O-CD 3.46Å; Q88-K92 VanDerWaalsContact O-CG 3.27Å; Q88-K92 WeakPolarHBondContact O-CG 3.43Å; Q88-K92 PolarHBondContact O-N 3.31Å; E89-K92 WeakPolarHBondContact O-CB 3.25Å; E89-K92 PolarHBondContact O-N 3.29Å; E89-K92 VanDerWaalsContact O-N 3.17Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.25Å; K92-L95 PolarHBondContact O-N 2.8Å; K92-Q96 WeakPolarHBondContact O-CG 3.47Å; K92-Q96 PolarHBondContact O-N 3.38Å; K92-Q96 VanDerWaalsContact O-N 3.09Å
93V89Confident85.3Confident67 Ų6786.5 Ų86.541%0.40643%0.431SS..Hα-helixtrans-64.4-48.9178177.70000110.8E89 L90 L95 Q96 E97E89-V93 PolarHBondContact O-N 2.94Å; L90-V93 PolarHBondContact O-N 2.93Å; L90-V93 VanDerWaalsContact O-N 3.15Å; V93-L95 VanDerWaalsContact C-N 3.28Å; V93-L95 PolarHBondContact O-N 2.84Å; V93-Q96 WeakPolarHBondContact O-CB 3.3Å; V93-Q96 PolarHBondContact O-N 2.91Å; V93-E97 HydrophobicContact CG1-CG 4.31Å; V93-E97 PolarHBondContact O-N 3.37Å
94C85.7Confident83.8Confident14 Ų1484.6 Ų84.610%0.09542%0.421CS..Hα-helixtrans-59.6-36.2178.9-65.10000112.9L90 A98 L104 C108L90-C94 PolarHBondContact O-N 3.28Å; L90-C94 PolarHBondContact O-SG 2.89Å; C94-A98 VanDerWaalsContact O-CB 3.26Å; C94-A98 WeakPolarHBondContact O-CB 3.46Å; C94-A98 PolarHBondContact O-N 2.92Å; C94-L104 HydrophobicContact CB-CD1 4.03Å; C94-L104 WeakPolarHBondContact O-CD1 3.34Å; C94-C108 WeakPolarHBondContact CB-SG 3.43Å
95L84.7Confident82.5Confident84 Ų8483.3 Ų83.344%0.4442%0.417SS..Hα-helixtrans-68.7-39.3174.4-73.3169.9000112.3R91 K92 V93 A98 E99 L104R91-L95 HydrophobicContact CG-CD1 4.14Å; R91-L95 WeakPolarHBondContact O-CB 3.47Å; R91-L95 WeakPolarHBondContact O-CD1 3.46Å; R91-L95 VanDerWaalsContact O-CG 3.22Å; R91-L95 WeakPolarHBondContact O-CG 3.01Å; R91-L95 PolarHBondContact O-N 3.39Å; R91-L95 VanDerWaalsContact O-N 3.11Å; K92-L95 PolarHBondContact O-N 2.8Å; V93-L95 VanDerWaalsContact C-N 3.28Å; V93-L95 PolarHBondContact O-N 2.84Å; L95-A98 PolarHBondContact O-N 2.89Å; L95-E99 PolarHBondContact O-N 3.05Å; L95-L104 HydrophobicContact CD2-CD1 4.34Å
96Q81.7Confident80.7Confident127 Ų12784.3 Ų84.359%0.59343%0.429SS*.Hα-helixtrans-65.4-42.2174.2-71.8173.8-10.300111.8K92 V93 A98 E99 L100K92-Q96 WeakPolarHBondContact O-CG 3.47Å; K92-Q96 PolarHBondContact O-N 3.38Å; K92-Q96 VanDerWaalsContact O-N 3.09Å; V93-Q96 WeakPolarHBondContact O-CB 3.3Å; V93-Q96 PolarHBondContact O-N 2.91Å; Q96-A98 VanDerWaalsContact C-N 3.33Å; Q96-A98 PolarHBondContact O-N 3.06Å; Q96-E99 PolarHBondContact O-N 3.44Å; Q96-L100 WeakPolarHBondContact O-CG 3.4Å; Q96-L100 PolarHBondContact O-N 2.89Å
97E81.4Confident79Confident105 Ų10586.2 Ų86.249%0.49144%0.44SS..Hα-helixtrans-65.3-35.6173.6-69.6-172.7167.200112V93 L100 T101V93-E97 HydrophobicContact CG1-CG 4.31Å; V93-E97 PolarHBondContact O-N 3.37Å; E97-L100 PolarHBondContact O-N 3Å; E97-T101 WeakPolarHBondContact O-CB 3.41Å; E97-T101 WeakPolarHBondContact O-CG2 3.37Å; E97-T101 PolarHBondContact O-N 2.84Å; E97-T101 PolarHBondContact O-OG1 2.83Å
98A80.7Confident77.1Confident2 Ų283.5 Ų83.52%0.01743%0.427CS..Hα-helixtrans-68.4-35.617400000113C94 L95 Q96 L100 G102 Q103 L104C94-A98 VanDerWaalsContact O-CB 3.26Å; C94-A98 WeakPolarHBondContact O-CB 3.46Å; C94-A98 PolarHBondContact O-N 2.92Å; L95-A98 PolarHBondContact O-N 2.89Å; Q96-A98 VanDerWaalsContact C-N 3.33Å; Q96-A98 PolarHBondContact O-N 3.06Å; A98-L100 VanDerWaalsContact C-N 3.31Å; A98-L100 PolarHBondContact O-N 3.42Å; A98-G102 WeakPolarHBondContact O-CA 3.3Å; A98-G102 PolarHBondContact O-N 3.49Å; A98-Q103 WeakPolarHBondContact CA-O 3.43Å; A98-Q103 WeakPolarHBondContact CB-O 3.43Å; A98-L104 HydrophobicContact CB-CB 3.97Å; A98-L104 HydrophobicContact CB-CD1 3.7Å; A98-L104 HydrophobicContact CB-CG 4.45Å
99E78.1Confident75.3Confident107 Ų10781 Ų8150%0.542%0.419SS..Hα-helixtrans-63-37.1171.1-76.5-157.6-144.200112.2L95 Q96 R122L95-E99 PolarHBondContact O-N 3.05Å; Q96-E99 PolarHBondContact O-N 3.44Å; E99-R122 IonicContact OE1-NH1 3.23Å; E99-R122 PolarHBondContact OE1-NH1 2.94Å; E99-R122 IonicContact OE2-CZ 2.65Å; E99-R122 IonicContact OE2-NH1 2.89Å; E99-R122 PolarHBondContact OE2-NH1 3.46Å
100L71.3Confident73.5Confident156 Ų15679.7 Ų79.782%0.81741%0.414SS*.Hα-helixtrans-79.1-39.7-179.2-67.2172.5000113.7Q96 E97 A98Q96-L100 WeakPolarHBondContact O-CG 3.4Å; Q96-L100 PolarHBondContact O-N 2.89Å; E97-L100 PolarHBondContact O-N 3Å; A98-L100 VanDerWaalsContact C-N 3.31Å; A98-L100 PolarHBondContact O-N 3.42Å
101T69.6Low71.6Confident78 Ų7881.9 Ų81.948%0.47942%0.422SS..Hα-helixtrans-90.3-30.9-177.260.30000112.9E97 Q103 R121E97-T101 WeakPolarHBondContact O-CB 3.41Å; E97-T101 WeakPolarHBondContact O-CG2 3.37Å; E97-T101 PolarHBondContact O-N 2.84Å; E97-T101 PolarHBondContact O-OG1 2.83Å; T101-Q103 PolarHBondContact OG1-N 3.5Å; T101-Q103 PolarHBondContact OG1-O 3.25Å; T101-Q103 VanDerWaalsContact OG1-O 3.1Å; T101-R121 PolarHBondContact O-NH2 3.09Å
102G63.9Low69.5Low13 Ų1385 Ų8513%0.13445%0.452CS..SBendtrans80.816.2-168.400000114.4A98A98-G102 WeakPolarHBondContact O-CA 3.3Å; A98-G102 PolarHBondContact O-N 3.49Å
103Q61.4Low67.7Low149 Ų14982.6 Ų82.670%0.69646%0.461SS*.  trans-140.1137.7176.7-64.6-67.21.200110.6A98 T101A98-Q103 WeakPolarHBondContact CA-O 3.43Å; A98-Q103 WeakPolarHBondContact CB-O 3.43Å; T101-Q103 PolarHBondContact OG1-N 3.5Å; T101-Q103 PolarHBondContact OG1-O 3.25Å; T101-Q103 VanDerWaalsContact OG1-O 3.1Å
104L65.3Low65.9Low48 Ų4883.5 Ų83.525%0.25146%0.461SS..  trans-104.4131.6175.2-173.271.4000109.4C94 L95 A98 C108 L110C94-L104 HydrophobicContact CB-CD1 4.03Å; C94-L104 WeakPolarHBondContact O-CD1 3.34Å; L95-L104 HydrophobicContact CD2-CD1 4.34Å; A98-L104 HydrophobicContact CB-CB 3.97Å; A98-L104 HydrophobicContact CB-CD1 3.7Å; A98-L104 HydrophobicContact CB-CG 4.45Å; L104-C108 HydrophobicContact CD1-CB 4.48Å; L104-C108 VanDerWaalsContact CD1-SG 3.57Å; L104-C108 HydrophobicContact CD2-CB 4.33Å; L104-C108 HydrophobicContact CG-CB 4.28Å; L104-L110 HydrophobicContact CD2-CD1 4.26Å
105P69Low64.1Low52 Ų5293.6 Ų93.634%0.33850%0.497SS..  trans-58.1139.1175.3-25.934.6000112.6E107 C108P105-E107 PolarHBondContact O-N 2.89Å; P105-C108 WeakPolarHBondContact O-CB 3.28Å; P105-C108 PolarHBondContact O-N 3Å; P105-C108 PolarHBondContact O-SG 3.42Å
106P59Low62.3Low119 Ų11994.5 Ų94.577%0.77351%0.507SS*.THydrogen-bonded Turntrans-69.3-19.4-176.828.2-34000113.6C108P106-C108 VanDerWaalsContact C-N 3.28Å; P106-C108 PolarHBondContact O-N 3.09Å
107E61.9Low60.9Low158 Ų15896.5 Ų96.574%0.73852%0.517SS*.THydrogen-bonded Turntrans-85.49.5175.8-50.682.7177.800113.7P105P105-E107 PolarHBondContact O-N 2.89Å
108C54.6Low59.3Low15 Ų1599.5 Ų99.510%0.10154%0.535CS..SBendtrans-61.4139.1175.3-73.20000111.5C94 L104 P105 P106 L110C94-C108 WeakPolarHBondContact CB-SG 3.43Å; L104-C108 HydrophobicContact CD1-CB 4.48Å; L104-C108 VanDerWaalsContact CD1-SG 3.57Å; L104-C108 HydrophobicContact CD2-CB 4.33Å; L104-C108 HydrophobicContact CG-CB 4.28Å; P105-C108 WeakPolarHBondContact O-CB 3.28Å; P105-C108 PolarHBondContact O-N 3Å; P105-C108 PolarHBondContact O-SG 3.42Å; P106-C108 VanDerWaalsContact C-N 3.28Å; P106-C108 PolarHBondContact O-N 3.09Å; C108-L110 VanDerWaalsContact C-N 3.27Å; C108-L110 HydrophobicContact CB-CG 4.33Å; C108-L110 PolarHBondContact O-N 2.97Å
109P56.4Low57.7Low38 Ų38102.3 Ų102.325%0.24755%0.552CS.*  trans-65.981.8173.1-22.134.5000112.6L87 L90 R91L87-P109 HydrophobicContact CD2-CB 4.42Å; L87-P109 HydrophobicContact CD2-CG 3.79Å; L90-P109 HydrophobicContact CD2-CG 4.46Å; R91-P109 PolarHBondContact NH1-O 2.77Å
110L56.8Low56.5Low63 Ų63108 Ų10833%0.3357%0.569SS.*  trans-99.7134.7170.1-60178.6000108.3L104 C108L104-L110 HydrophobicContact CD2-CD1 4.26Å; C108-L110 VanDerWaalsContact C-N 3.27Å; C108-L110 HydrophobicContact CB-CG 4.33Å; C108-L110 PolarHBondContact O-N 2.97Å
111E53.3Low55.5Low133 Ų133108.7 Ų108.762%0.62156%0.561SS**  trans-66.5145.3179.4-69.5-61.3123.500110.5G113 E114E111-G113 VanDerWaalsContact C-N 3.3Å; E111-G113 PolarHBondContact O-N 2.85Å; E111-E114 PolarHBondContact O-N 2.83Å
112P44.3Very low54.4Low137 Ų137113.3 Ų113.389%0.8957%0.569SS**THydrogen-bonded Turntrans-60.681.2-178.4-25.936.3000114.5
113G52.7Low53.6Low70 Ų70117.1 Ų117.172%0.72259%0.592SS**THydrogen-bonded Turntrans147.2-19.8-175.500000114.5E111 R115E111-G113 VanDerWaalsContact C-N 3.3Å; E111-G113 PolarHBondContact O-N 2.85Å; G113-R115 PolarHBondContact O-N 2.88Å
114E52.5Low53Low86 Ų86115.8 Ų115.840%0.40260%0.596SS.*  trans-66.9105.3171.4-88.6-169.8111.600110R91 E111R91-E114 IonicContact CZ-OE2 3.5Å; R91-E114 VanDerWaalsContact CZ-OE2 3.23Å; R91-E114 IonicContact NH1-OE2 2.77Å; R91-E114 PolarHBondContact NH1-OE2 3.48Å; R91-E114 IonicContact NH2-OE1 2.78Å; R91-E114 PolarHBondContact NH2-OE1 2.88Å; R91-E114 IonicContact NH2-OE2 3.21Å; R91-E114 PolarHBondContact NH2-OE2 2.89Å; E111-E114 PolarHBondContact O-N 2.83Å
115R47Very low51.8Low226 Ų226120 Ų12085%0.85362%0.624SS**  trans-59.7133.8172.1-67.1-180179.5168.20.6108.9G113 Q117G113-R115 PolarHBondContact O-N 2.88Å; R115-Q117 PolarHBondContact O-N 3.3Å
116P47.7Very low50.4Low102 Ų102121.5 Ų121.566%0.66264%0.641SS**  trans-59.9111.2172.925.5-33.2000108.1L118P116-L118 PolarHBondContact O-N 3.13Å
117Q51.1Low49.5Very low169 Ų169125.3 Ų125.379%0.7964%0.64SS**  trans-60.2133175.5-63.1-168.113.300107.5R115 V119R115-Q117 PolarHBondContact O-N 3.3Å; Q117-V119 PolarHBondContact O-N 3.29Å
118L48.3Very low48.4Very low168 Ų168122.4 Ų122.488%0.8864%0.643SS**  trans-58.6113.2173-78.389.1000107.1P116 R120P116-L118 PolarHBondContact O-N 3.13Å; L118-R120 PolarHBondContact O-N 2.67Å
119V48.6Very low47.6Very low61 Ų61130.4 Ų130.437%0.3767%0.672SS.*  trans-70.773174.9-173.50000107.4Q117 R121Q117-V119 PolarHBondContact O-N 3.29Å; V119-R121 PolarHBondContact O-N 3.24Å
120R51.5Low47.2Very low226 Ų226132.9 Ų132.985%0.85369%0.688SS**  trans-62.295164.6177-180175.8161.10.8104.8L118 R122L118-R120 PolarHBondContact O-N 2.67Å; R120-R122 PolarHBondContact O-N 3.21Å; R120-R122 VanDerWaalsContact O-N 3.09Å
121R51.7Low46.7Very low171 Ų171135.1 Ų135.165%0.64571%0.706SS**  trans-32.6119.9171-72.8179.1166.2-173.7-7.4108.1T101 V119 P123T101-R121 PolarHBondContact O-NH2 3.09Å; V119-R121 PolarHBondContact O-N 3.24Å; R121-P123 WeakPolarHBondContact O-CD 3.24Å
122R46.6Very low46.2Very low176 Ų176134.2 Ų134.266%0.66471%0.712SS**PPolyproline II helixtrans-52.3116.9156.6-84.3-179.7165.8126.9-1104.6E99 R120E99-R122 IonicContact OE1-NH1 3.23Å; E99-R122 PolarHBondContact OE1-NH1 2.94Å; E99-R122 IonicContact OE2-CZ 2.65Å; E99-R122 IonicContact OE2-NH1 2.89Å; E99-R122 PolarHBondContact OE2-NH1 3.46Å; R120-R122 PolarHBondContact O-N 3.21Å; R120-R122 VanDerWaalsContact O-N 3.09Å
123P47Very low46.1Very low92 Ų92135.1 Ų135.160%0.59770%0.704SS**PPolyproline II helixtrans-55.6130.6161.7-15.530.8000104.9R121 T125R121-P123 WeakPolarHBondContact O-CD 3.24Å; P123-T125 PolarHBondContact O-N 3.15Å
124P47.6Very low46.1Very low122 Ų122137.7 Ų137.779%0.79271%0.708SS**PPolyproline II helixtrans-52.2123.5177.823.4-33.5000106.8A126P124-A126 PolarHBondContact O-N 2.81Å
125T41.3Very low45.8Very low135 Ų135141 Ų14183%0.82873%0.729SS**  trans-50.4102-158-52.20000110P123 R127P123-T125 PolarHBondContact O-N 3.15Å; T125-R127 VanDerWaalsContact C-N 3.27Å; T125-R127 PolarHBondContact O-N 3.37Å
126A38.6Very low45.8Very low84 Ų84138.2 Ų138.269%0.69473%0.725SS**  trans-68.896.9-177.500000105.9P124 A128P124-A126 PolarHBondContact O-N 2.81Å; A126-A128 PolarHBondContact O-N 3.04Å
127R40.1Very low45.6Very low199 Ų199137.4 Ų137.475%0.75173%0.727SS**  trans-42.7118.8150.8-76.2-176.7171.2-174.2-2.7104.5T125 Y129T125-R127 VanDerWaalsContact C-N 3.27Å; T125-R127 PolarHBondContact O-N 3.37Å; R127-Y129 HydrophobicContact CB-CD2 4.35Å; R127-Y129 HydrophobicContact CB-CE2 4.19Å; R127-Y129 WeakPolarHBondContact O-CD2 3.4Å; R127-Y129 PolarHBondContact O-N 3.2Å
128A38.8Very low45.2Very low97 Ų97137 Ų13780%0.80273%0.725SS**  trans-7076.6179.500000107.7A126 P130A126-A128 PolarHBondContact O-N 3.04Å; A128-P130 WeakPolarHBondContact O-CD 3.31Å
129Y37.4Very low45.4Very low184 Ų184134.9 Ų134.972%0.72271%0.71SS**PPolyproline II helixtrans-52.7121.8160.4-74.2-76.5000105.4R127R127-Y129 HydrophobicContact CB-CD2 4.35Å; R127-Y129 HydrophobicContact CB-CE2 4.19Å; R127-Y129 WeakPolarHBondContact O-CD2 3.4Å; R127-Y129 PolarHBondContact O-N 3.2Å
130P49.3Very low45.8Very low90 Ų90137.4 Ų137.458%0.58473%0.73SS**PPolyproline II helixtrans-49.9145.5166.4-24.635000108.5A128 P132A128-P130 WeakPolarHBondContact O-CD 3.31Å; P130-P132 VanDerWaalsContact O-N 3.12Å
131P44.5Very low46.2Very low110 Ų110128.8 Ų128.871%0.71470%0.701SS**PPolyproline II helixtrans-50.6126.1179.322.6-33.7000108.3H133P131-H133 PolarHBondContact O-N 2.87Å
132P42.9Very low47.3Very low114 Ų114123.9 Ų123.974%0.7469%0.692SS**  trans-59113.5-167.121.4-32.8000109.1P130P130-P132 VanDerWaalsContact O-N 3.12Å
133H43.9Very low48.8Very low155 Ų155120.5 Ų120.572%0.71869%0.693SS**  trans-54.5129174.1-66.4-81.4000107.5P131 N135P131-H133 PolarHBondContact O-N 2.87Å; H133-N135 PolarHBondContact O-N 3.29Å
134P51.1Low50.5Low124 Ų124119.6 Ų119.681%0.80569%0.694SS**SBendtrans-76.266.7-174.831.2-36.2000110.6
135N47.3Very low52.2Low157 Ų157118 Ų11884%0.8468%0.676SS**  trans-171.563.8172.5-94.2-31.8000110.9H133H133-N135 PolarHBondContact O-N 3.29Å
136Q46.4Very low54.4Low166 Ų166117.2 Ų117.278%0.77666%0.662SS**  trans-146.9124.1154.5-121.2163.761.800109.4H138Q136-H138 VanDerWaalsContact C-N 3.32Å; Q136-H138 PolarHBondContact O-N 3.2Å
137A42.7Very low56.9Low85 Ų85118.7 Ų118.770%0.70266%0.658SS**  trans-74.288.4178.700000108.9H139A137-H139 VanDerWaalsContact C-N 3.29Å; A137-H139 PolarHBondContact O-CD2 3.13Å; A137-H139 VanDerWaalsContact O-CD2 3.3Å; A137-H139 PolarHBondContact O-N 2.9Å
138H44.5Very low59.3Low161 Ų161111.9 Ų111.975%0.74565%0.645SS**  trans-6298.7161.6-75.1-77.4000107.6Q136 S140Q136-H138 VanDerWaalsContact C-N 3.32Å; Q136-H138 PolarHBondContact O-N 3.2Å; H138-S140 PolarHBondContact O-N 2.8Å
139H52.4Low61.9Low124 Ų124108 Ų10857%0.57461%0.61SS**  trans-57.8103.2166.9-74-96.7000107A137 L141A137-H139 VanDerWaalsContact C-N 3.29Å; A137-H139 PolarHBondContact O-CD2 3.13Å; A137-H139 VanDerWaalsContact O-CD2 3.3Å; A137-H139 PolarHBondContact O-N 2.9Å; H139-L141 HydrophobicContact CB-CD2 4.34Å; H139-L141 PolarHBondContact O-N 3.25Å
140S56.5Low64.5Low113 Ų113103.5 Ų103.579%0.7960%0.596SS**  trans-67.786.2173.1173.70000107.5H138 C142H138-S140 PolarHBondContact O-N 2.8Å; S140-C142 PolarHBondContact O-N 3.17Å
141L60.5Low66.7Low45 Ų45101.6 Ų101.624%0.23659%0.587CS.*  trans-48.6130.1179.1-53.4-172.9000108.9H139 L208H139-L141 HydrophobicContact CB-CD2 4.34Å; H139-L141 PolarHBondContact O-N 3.25Å; L141-L208 HydrophobicContact CD1-CD1 4.15Å; L141-L208 HydrophobicContact CD2-CB 4.02Å; L141-L208 HydrophobicContact CD2-CD1 3.82Å; L141-L208 HydrophobicContact CD2-CD2 3.6Å; L141-L208 HydrophobicContact CD2-CG 3.98Å
142C74.4Confident69.2Low68 Ų6897.6 Ų97.646%0.45956%0.56SS.*  trans-64.5140.3169.5-64.70000107.4S140 A144 E145 E146S140-C142 PolarHBondContact O-N 3.17Å; C142-A144 PolarHBondContact O-N 2.86Å; C142-E145 HydrophobicContact CB-CG 4.06Å; C142-E145 WeakPolarHBondContact CB-OE2 3.31Å; C142-E145 PolarHBondContact N-OE2 2.92Å; C142-E145 WeakPolarHBondContact O-CA 3.45Å; C142-E145 WeakPolarHBondContact O-CB 3.38Å; C142-E145 PolarHBondContact O-N 3.5Å; C142-E146 PolarHBondContact O-N 3.09Å; C142-E146 VanDerWaalsContact O-N 3.13Å
143P76.6Confident71.7Confident105 Ų10595.1 Ų95.168%0.68254%0.538SS*.Hα-helixtrans-56.5-19.5179-29.536.5000114.4L147P143-L147 VanDerWaalsContact O-CB 3.24Å; P143-L147 WeakPolarHBondContact O-CB 3.43Å; P143-L147 PolarHBondContact O-N 3.42Å; P143-L147 VanDerWaalsContact O-N 3.15Å
144A82.8Confident74.3Confident74 Ų7493.9 Ų93.961%0.61253%0.528SS*.Hα-helixtrans-74.7-33.4170.800000113.9C142 A148C142-A144 PolarHBondContact O-N 2.86Å; A144-A148 VanDerWaalsContact O-CB 3.25Å; A144-A148 WeakPolarHBondContact O-CB 3.36Å; A144-A148 PolarHBondContact O-N 3.46Å
145E84.9Confident76.5Confident89 Ų8992.3 Ų92.342%0.41651%0.509SS..Hα-helixtrans-75.3-40.6176.4-62.9172.1131.200110.8C142 A148 L149C142-E145 HydrophobicContact CB-CG 4.06Å; C142-E145 WeakPolarHBondContact CB-OE2 3.31Å; C142-E145 PolarHBondContact N-OE2 2.92Å; C142-E145 WeakPolarHBondContact O-CA 3.45Å; C142-E145 WeakPolarHBondContact O-CB 3.38Å; C142-E145 PolarHBondContact O-N 3.5Å; E145-A148 PolarHBondContact O-N 2.84Å; E145-L149 WeakPolarHBondContact O-CB 3.15Å; E145-L149 PolarHBondContact O-N 3.37Å
146E87.3Confident78.9Confident117 Ų11785 Ų8555%0.54747%0.47SS..Hα-helixtrans-60.5-47.2172.1-175.4175.5-155.600111C142 A148 L149 E150C142-E146 PolarHBondContact O-N 3.09Å; C142-E146 VanDerWaalsContact O-N 3.13Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 3.15Å; E146-L149 PolarHBondContact O-N 2.87Å; E146-E150 WeakPolarHBondContact O-CB 3.41Å; E146-E150 PolarHBondContact O-N 3.47Å
147L91.2Very high81.3Confident115 Ų11579.5 Ų79.560%0.60245%0.45SS*.Hα-helixtrans-66.4-32.3176-173146.8000112.8P143 A151P143-L147 VanDerWaalsContact O-CB 3.24Å; P143-L147 WeakPolarHBondContact O-CB 3.43Å; P143-L147 PolarHBondContact O-N 3.42Å; P143-L147 VanDerWaalsContact O-N 3.15Å; L147-A151 VanDerWaalsContact O-CB 3.28Å; L147-A151 WeakPolarHBondContact O-CB 3.34Å; L147-A151 PolarHBondContact O-N 3.22Å
148A89.9Confident84Confident57 Ų5778.8 Ų78.847%0.47144%0.437SS..Hα-helixtrans-69.7-39.9173.700000112.3A144 E145 E146 A151 L152A144-A148 VanDerWaalsContact O-CB 3.25Å; A144-A148 WeakPolarHBondContact O-CB 3.36Å; A144-A148 PolarHBondContact O-N 3.46Å; E145-A148 PolarHBondContact O-N 2.84Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 3.15Å; A148-A151 PolarHBondContact O-N 3.33Å; A148-L152 WeakPolarHBondContact O-CB 3.37Å; A148-L152 PolarHBondContact O-N 3.33Å
149L92.5Very high86.5Confident15 Ų1572 Ų728%0.07941%0.405CS..Hα-helixtrans-62.1-48.6171.7176.163.5000110.7E145 E146 A151 L152 E153 L201 V204 R205 L208 L210E145-L149 WeakPolarHBondContact O-CB 3.15Å; E145-L149 PolarHBondContact O-N 3.37Å; E146-L149 PolarHBondContact O-N 2.87Å; L149-A151 VanDerWaalsContact C-N 3.27Å; L149-A151 PolarHBondContact O-N 3.21Å; L149-L152 PolarHBondContact O-N 2.92Å; L149-L152 VanDerWaalsContact O-N 3.09Å; L149-E153 HydrophobicContact CD1-CG 4.43Å; L149-E153 WeakPolarHBondContact O-CG 3.49Å; L149-E153 PolarHBondContact O-N 3.29Å; L149-L201 HydrophobicContact CD1-CD1 3.46Å; L149-L201 VanDerWaalsContact CD1-CD1 3.46Å; L149-V204 HydrophobicContact CB-CG1 4.43Å; L149-V204 HydrophobicContact CD1-CB 4.48Å; L149-V204 HydrophobicContact CD1-CG1 3.96Å; L149-R205 HydrophobicContact CD1-CG 4.01Å; L149-L208 HydrophobicContact CD2-CD1 4.34Å; L149-L210 HydrophobicContact CD2-CD1 3.94Å
150E93.3Very high88.7Confident90 Ų9069.5 Ų69.542%0.42139%0.394SS..Hα-helixtrans-65.1-29.6179.1-154.5-156.1-170.200112.4E146 R154E146-E150 WeakPolarHBondContact O-CB 3.41Å; E146-E150 PolarHBondContact O-N 3.47Å; E150-R154 VanDerWaalsContact O-CG 3.31Å; E150-R154 WeakPolarHBondContact O-CG 3.36Å; E150-R154 PolarHBondContact O-N 2.92Å; E150-R154 PolarHBondContact O-NH1 2.96Å; E150-R154 IonicContact OE1-CZ 3.14Å; E150-R154 IonicContact OE1-NH1 3.8Å; E150-R154 IonicContact OE1-NH2 3.65Å; E150-R154 PolarHBondContact OE1-NH2 3.32Å; E150-R154 IonicContact OE2-CZ 2.73Å; E150-R154 IonicContact OE2-NH1 3.95Å; E150-R154 PolarHBondContact OE2-NH1 2.95Å; E150-R154 IonicContact OE2-NH2 2.73Å; E150-R154 PolarHBondContact OE2-NH2 2.73Å
151A95.8Very high90.7Very high49 Ų4970.9 Ų70.941%0.40539%0.388SS..Hα-helixtrans-69.9-41.5170.500000112.1L147 A148 L149 R154 E155L147-A151 VanDerWaalsContact O-CB 3.28Å; L147-A151 WeakPolarHBondContact O-CB 3.34Å; L147-A151 PolarHBondContact O-N 3.22Å; A148-A151 PolarHBondContact O-N 3.33Å; L149-A151 VanDerWaalsContact C-N 3.27Å; L149-A151 PolarHBondContact O-N 3.21Å; A151-R154 PolarHBondContact O-N 3.32Å; A151-E155 PolarHBondContact O-N 3.02Å
152L96Very high92.5Very high27 Ų2772.5 Ų72.514%0.14140%0.396CS..Hα-helixtrans-67.3-37.8176.9-176.357.8000112.1A148 L149 R154 E155 V156 L197 Q200 L201 V204A148-L152 WeakPolarHBondContact O-CB 3.37Å; A148-L152 PolarHBondContact O-N 3.33Å; L149-L152 PolarHBondContact O-N 2.92Å; L149-L152 VanDerWaalsContact O-N 3.09Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.44Å; L152-E155 PolarHBondContact O-N 3.24Å; L152-V156 WeakPolarHBondContact O-CG2 3.19Å; L152-V156 PolarHBondContact O-N 2.89Å; L152-L197 HydrophobicContact CD1-CD2 3.91Å; L152-Q200 HydrophobicContact CD1-CB 4.45Å; L152-Q200 HydrophobicContact CD2-CB 4.14Å; L152-L201 HydrophobicContact CD2-CB 4.24Å; L152-L201 HydrophobicContact CD2-CD1 4.3Å; L152-L201 HydrophobicContact CG-CB 4.37Å; L152-L201 HydrophobicContact CG-CD1 4.25Å; L152-V204 HydrophobicContact CD2-CG2 4.09Å
153E96.1Very high93.6Very high61 Ų6169.5 Ų69.529%0.28538%0.376SS..Hα-helixtrans-64.3-36.2173.6-71.1-175.9179.700112.5L149 S157 L201 R205L149-E153 HydrophobicContact CD1-CG 4.43Å; L149-E153 WeakPolarHBondContact O-CG 3.49Å; L149-E153 PolarHBondContact O-N 3.29Å; E153-S157 WeakPolarHBondContact O-CB 3.34Å; E153-S157 PolarHBondContact O-N 3.15Å; E153-S157 PolarHBondContact O-OG 3.14Å; E153-L201 HydrophobicContact CG-CD1 3.41Å; E153-L201 VanDerWaalsContact CG-CD1 3.41Å; E153-L201 HydrophobicContact CG-CD2 4.11Å; E153-L201 HydrophobicContact CG-CG 4.41Å; E153-R205 IonicContact OE1-CZ 3.28Å; E153-R205 IonicContact OE1-NE 2.7Å; E153-R205 PolarHBondContact OE1-NE 2.89Å; E153-R205 IonicContact OE1-NH2 3.09Å; E153-R205 PolarHBondContact OE1-NH2 2.78Å; E153-R205 IonicContact OE2-NH2 3.9Å
154R97.6Very high94.6Very high130 Ų13065.5 Ų65.549%0.49135%0.352SS..Hα-helixtrans-66.7-42.5170.7-73176.6-174.7108.8-2.2112E150 A151 L152 S157 V158E150-R154 VanDerWaalsContact O-CG 3.31Å; E150-R154 WeakPolarHBondContact O-CG 3.36Å; E150-R154 PolarHBondContact O-N 2.92Å; E150-R154 PolarHBondContact O-NH1 2.96Å; E150-R154 IonicContact OE1-CZ 3.14Å; E150-R154 IonicContact OE1-NH1 3.8Å; E150-R154 IonicContact OE1-NH2 3.65Å; E150-R154 PolarHBondContact OE1-NH2 3.32Å; E150-R154 IonicContact OE2-CZ 2.73Å; E150-R154 IonicContact OE2-NH1 3.95Å; E150-R154 PolarHBondContact OE2-NH1 2.95Å; E150-R154 IonicContact OE2-NH2 2.73Å; E150-R154 PolarHBondContact OE2-NH2 2.73Å; A151-R154 PolarHBondContact O-N 3.32Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.44Å; R154-S157 WeakPolarHBondContact O-CB 3.39Å; R154-S157 PolarHBondContact O-N 3.47Å; R154-V158 WeakPolarHBondContact O-CG2 3.31Å; R154-V158 PolarHBondContact O-N 3.39Å
155E97.3Very high95.4Very high90 Ų9063.3 Ų63.342%0.42133%0.334SS..Hα-helixtrans-64.7-42.8178.4-170.863.5-165.200111.7A151 L152 S157 V158 Q159 L197A151-E155 PolarHBondContact O-N 3.02Å; L152-E155 PolarHBondContact O-N 3.24Å; E155-S157 PolarHBondContact O-N 3.36Å; E155-V158 PolarHBondContact O-N 3.42Å; E155-Q159 WeakPolarHBondContact O-CB 3.29Å; E155-Q159 PolarHBondContact O-N 2.75Å; E155-L197 HydrophobicContact CG-CD1 3.91Å; E155-L197 HydrophobicContact CG-CD2 3.97Å
156V98.1Very high96Very high4 Ų459.4 Ų59.42%0.02432%0.317CS..Hα-helixtrans-56-49.4169.4169.20000110.5L152 V158 Q159 Q160 L194 L197 E198 L201L152-V156 WeakPolarHBondContact O-CG2 3.19Å; L152-V156 PolarHBondContact O-N 2.89Å; V156-V158 VanDerWaalsContact C-N 3.33Å; V156-V158 PolarHBondContact O-N 2.69Å; V156-Q159 PolarHBondContact O-N 2.91Å; V156-Q159 VanDerWaalsContact O-N 3.15Å; V156-Q160 HydrophobicContact CG1-CG 4.42Å; V156-Q160 WeakPolarHBondContact O-CG 3.49Å; V156-Q160 PolarHBondContact O-N 2.74Å; V156-L194 HydrophobicContact CG1-CD1 4.23Å; V156-L197 HydrophobicContact CG2-CB 3.68Å; V156-E198 HydrophobicContact CG1-CG 3.84Å; V156-E198 HydrophobicContact CG2-CG 4.38Å; V156-L201 HydrophobicContact CG2-CB 4.39Å; V156-L201 HydrophobicContact CG2-CD2 4.29Å
157S97.8Very high96.5Very high51 Ų5159.7 Ų59.736%0.35731%0.313SS..Hα-helixtrans-60.8-39.4-179.6-59.80000112.7E153 R154 E155 Q161E153-S157 WeakPolarHBondContact O-CB 3.34Å; E153-S157 PolarHBondContact O-N 3.15Å; E153-S157 PolarHBondContact O-OG 3.14Å; R154-S157 WeakPolarHBondContact O-CB 3.39Å; R154-S157 PolarHBondContact O-N 3.47Å; E155-S157 PolarHBondContact O-N 3.36Å; S157-Q161 WeakPolarHBondContact O-CG 3.44Å; S157-Q161 PolarHBondContact O-N 3.18Å
158V98.2Very high96.8Very high70 Ų7062.1 Ų62.142%0.42431%0.314SS..Hα-helixtrans-67.7-44.4174.1168.90000110.6R154 E155 V156 Q160 Q161 I162R154-V158 WeakPolarHBondContact O-CG2 3.31Å; R154-V158 PolarHBondContact O-N 3.39Å; E155-V158 PolarHBondContact O-N 3.42Å; V156-V158 VanDerWaalsContact C-N 3.33Å; V156-V158 PolarHBondContact O-N 2.69Å; V158-Q160 VanDerWaalsContact C-N 3.34Å; V158-Q160 PolarHBondContact O-N 3.01Å; V158-Q161 WeakPolarHBondContact O-CB 3.36Å; V158-Q161 PolarHBondContact O-N 3.14Å; V158-Q161 VanDerWaalsContact O-N 3.09Å; V158-I162 HydrophobicContact CG1-CD1 3.82Å; V158-I162 HydrophobicContact CG1-CG1 4.41Å; V158-I162 WeakPolarHBondContact O-CG1 3.09Å; V158-I162 PolarHBondContact O-N 3.08Å
159Q98.3Very high97.1Very high17 Ų1764 Ų648%0.07932%0.316CS..Hα-helixtrans-66.6-33.8179.9-171.861.714.900112.6E155 V156 Q161 I162 A163 A190 R193 L194 L197E155-Q159 WeakPolarHBondContact O-CB 3.29Å; E155-Q159 PolarHBondContact O-N 2.75Å; V156-Q159 PolarHBondContact O-N 2.91Å; V156-Q159 VanDerWaalsContact O-N 3.15Å; Q159-Q161 VanDerWaalsContact C-N 3.33Å; Q159-Q161 PolarHBondContact O-N 2.68Å; Q159-I162 PolarHBondContact O-N 2.77Å; Q159-A163 WeakPolarHBondContact O-CB 3.39Å; Q159-A163 PolarHBondContact O-N 3.03Å; Q159-A190 PolarHBondContact NE2-O 2.91Å; Q159-R193 HydrophobicContact CG-CG 4.39Å; Q159-L194 HydrophobicContact CB-CD1 4.24Å; Q159-L194 HydrophobicContact CG-CB 3.93Å; Q159-L194 HydrophobicContact CG-CD1 4.23Å; Q159-L197 HydrophobicContact CB-CD1 3.72Å; Q159-L197 HydrophobicContact CG-CD1 3.92Å
160Q98.2Very high97.2Very high72 Ų7263.4 Ų63.434%0.33631%0.313SS..Hα-helixtrans-60.4-42.1169.9-72.1-179.4-2.100111.4V156 V158 A163 A164 L194 E198V156-Q160 HydrophobicContact CG1-CG 4.42Å; V156-Q160 WeakPolarHBondContact O-CG 3.49Å; V156-Q160 PolarHBondContact O-N 2.74Å; V158-Q160 VanDerWaalsContact C-N 3.34Å; V158-Q160 PolarHBondContact O-N 3.01Å; Q160-A163 PolarHBondContact O-N 3.26Å; Q160-A164 VanDerWaalsContact O-CB 3.31Å; Q160-A164 WeakPolarHBondContact O-CB 3.41Å; Q160-A164 PolarHBondContact O-N 3.09Å; Q160-L194 HydrophobicContact CB-CD1 4.49Å; Q160-L194 HydrophobicContact CG-CD1 3.46Å; Q160-L194 VanDerWaalsContact CG-CD1 3.46Å; Q160-L194 HydrophobicContact CG-CD2 3.83Å; Q160-L194 HydrophobicContact CG-CG 4.3Å; Q160-E198 PolarHBondContact NE2-OE1 2.98Å
161Q98.3Very high97.3Very high143 Ų14363.7 Ų63.767%0.66832%0.317SS*.Hα-helixtrans-66.3-38.4174.6-66.5-179.628.800112.3S157 V158 Q159 A164 A165S157-Q161 WeakPolarHBondContact O-CG 3.44Å; S157-Q161 PolarHBondContact O-N 3.18Å; V158-Q161 WeakPolarHBondContact O-CB 3.36Å; V158-Q161 PolarHBondContact O-N 3.14Å; V158-Q161 VanDerWaalsContact O-N 3.09Å; Q159-Q161 VanDerWaalsContact C-N 3.33Å; Q159-Q161 PolarHBondContact O-N 2.68Å; Q161-A164 PolarHBondContact O-N 3.04Å; Q161-A165 VanDerWaalsContact O-CB 3.3Å; Q161-A165 WeakPolarHBondContact O-CB 3.39Å; Q161-A165 PolarHBondContact O-N 3.3Å
162I97.9Very high97.2Very high79 Ų7962.5 Ų62.541%0.40531%0.307SS..Hα-helixtrans-64.3-47.7175.2-68.5168.8000110.7V158 Q159 A164 A165 A166 A190V158-I162 HydrophobicContact CG1-CD1 3.82Å; V158-I162 HydrophobicContact CG1-CG1 4.41Å; V158-I162 WeakPolarHBondContact O-CG1 3.09Å; V158-I162 PolarHBondContact O-N 3.08Å; Q159-I162 PolarHBondContact O-N 2.77Å; I162-A164 PolarHBondContact O-N 3.48Å; I162-A165 PolarHBondContact O-N 3.39Å; I162-A165 VanDerWaalsContact O-N 3.17Å; I162-A166 WeakPolarHBondContact O-CB 3.26Å; I162-A166 PolarHBondContact O-N 3.48Å; I162-A190 HydrophobicContact CG2-CB 4.24Å
163A98.3Very high97Very high4 Ų465.9 Ų65.93%0.03333%0.33CS..Hα-helixtrans-62.9-40.8177.200000112Q159 Q160 A166 R167 A190 L191Q159-A163 WeakPolarHBondContact O-CB 3.39Å; Q159-A163 PolarHBondContact O-N 3.03Å; Q160-A163 PolarHBondContact O-N 3.26Å; A163-A166 PolarHBondContact O-N 2.68Å; A163-R167 PolarHBondContact O-N 2.86Å; A163-A190 HydrophobicContact CB-CB 4.19Å; A163-L191 HydrophobicContact CB-CD2 4.01Å; A163-L191 HydrophobicContact CB-CG 4.44Å
164A97.8Very high96.7Very high21 Ų2170.4 Ų70.417%0.17436%0.357CS..Hα-helixtrans-64.4-38.5172.900000112.4Q160 Q161 I162 R168Q160-A164 VanDerWaalsContact O-CB 3.31Å; Q160-A164 WeakPolarHBondContact O-CB 3.41Å; Q160-A164 PolarHBondContact O-N 3.09Å; Q161-A164 PolarHBondContact O-N 3.04Å; I162-A164 PolarHBondContact O-N 3.48Å; A164-R168 WeakPolarHBondContact O-CG 3.47Å; A164-R168 PolarHBondContact O-N 3.18Å; A164-R168 VanDerWaalsContact O-N 3.13Å; A164-R168 PolarHBondContact O-NH1 2.81Å
165A97.8Very high96.4Very high29 Ų2965.4 Ų65.424%0.2434%0.34CS..Hα-helixtrans-67.6-43174.500000112.2Q161 I162 R167 R168 L169Q161-A165 VanDerWaalsContact O-CB 3.3Å; Q161-A165 WeakPolarHBondContact O-CB 3.39Å; Q161-A165 PolarHBondContact O-N 3.3Å; I162-A165 PolarHBondContact O-N 3.39Å; I162-A165 VanDerWaalsContact O-N 3.17Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 3.32Å; A165-R168 PolarHBondContact O-N 3.5Å; A165-L169 WeakPolarHBondContact O-CB 3.27Å; A165-L169 VanDerWaalsContact O-CG 3.3Å; A165-L169 WeakPolarHBondContact O-CG 3.22Å; A165-L169 PolarHBondContact O-N 2.84Å
166A97.8Very high96.3Very high7 Ų763.9 Ų63.96%0.05834%0.339CS..Hα-helixtrans-60.6-42.4176.600000111.5I162 A163 L169 A170 V186 Q187 A190I162-A166 WeakPolarHBondContact O-CB 3.26Å; I162-A166 PolarHBondContact O-N 3.48Å; A163-A166 PolarHBondContact O-N 2.68Å; A166-L169 PolarHBondContact O-N 2.76Å; A166-A170 WeakPolarHBondContact O-CB 3.43Å; A166-A170 PolarHBondContact O-N 3.22Å; A166-V186 HydrophobicContact CB-CG1 4.4Å; A166-Q187 HydrophobicContact CB-CB 4.1Å; A166-A190 HydrophobicContact CB-CB 4.33Å
167R97.6Very high96.1Very high123 Ų12369.7 Ų69.746%0.46438%0.375SS..Hα-helixtrans-59-49.9172.4-173.1171.773.9-108.99.7112.3A163 A165 L169 A170 L171 Q187A163-R167 PolarHBondContact O-N 2.86Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 3.32Å; R167-L169 PolarHBondContact O-N 3.1Å; R167-A170 PolarHBondContact O-N 2.86Å; R167-L171 HydrophobicContact CG-CD1 3.96Å; R167-L171 WeakPolarHBondContact O-CG 3.45Å; R167-L171 PolarHBondContact O-N 3.48Å; R167-Q187 HydrophobicContact CB-CG 4.33Å
168R97.6Very high96Very high165 Ų16570.9 Ų70.962%0.62337%0.374SS*.Hα-helixtrans-58-36.7175.1-69.5-173.4-56.2-95.55.9112.3A164 A165 A172A164-R168 WeakPolarHBondContact O-CG 3.47Å; A164-R168 PolarHBondContact O-N 3.18Å; A164-R168 VanDerWaalsContact O-N 3.13Å; A164-R168 PolarHBondContact O-NH1 2.81Å; A165-R168 PolarHBondContact O-N 3.5Å; R168-A172 PolarHBondContact O-N 3.29Å
169L96.4Very high95.9Very high97 Ų9772 Ų7251%0.50838%0.375SS..Hα-helixtrans-73.5-35.4178.1-71.9170.7000112.7A165 A166 R167 A172 R183A165-L169 WeakPolarHBondContact O-CB 3.27Å; A165-L169 VanDerWaalsContact O-CG 3.3Å; A165-L169 WeakPolarHBondContact O-CG 3.22Å; A165-L169 PolarHBondContact O-N 2.84Å; A166-L169 PolarHBondContact O-N 2.76Å; R167-L169 PolarHBondContact O-N 3.1Å; L169-A172 WeakPolarHBondContact O-CB 3.47Å; L169-R183 WeakPolarHBondContact O-CD 3.33Å; L169-R183 PolarHBondContact O-NH1 3.46Å
170A95.6Very high95.8Very high2 Ų274.5 Ų74.52%0.01738%0.384CS..Hα-helixtrans-73.3-32.7177.800000113.2A166 R167 A172 R180 R183 R184 Q187A166-A170 WeakPolarHBondContact O-CB 3.43Å; A166-A170 PolarHBondContact O-N 3.22Å; R167-A170 PolarHBondContact O-N 2.86Å; A170-A172 VanDerWaalsContact C-N 3.33Å; A170-R180 PolarHBondContact O-NH1 2.94Å; A170-R183 HydrophobicContact CB-CB 4.02Å; A170-R184 HydrophobicContact CB-CG 4.23Å; A170-Q187 VanDerWaalsContact CB-OE1 3.3Å
171L94.9Very high95.8Very high97 Ų9779.3 Ų79.351%0.50840%0.399SS..THydrogen-bonded Turntrans-83.4-1.4175.9-64.9176.8000114R167R167-L171 HydrophobicContact CG-CD1 3.96Å; R167-L171 WeakPolarHBondContact O-CG 3.45Å; R167-L171 PolarHBondContact O-N 3.48Å
172A94.7Very high95.7Very high23 Ų2380.2 Ų80.219%0.1940%0.396CS..  trans-60.7150.1-179.200000112.8R168 L169 A170 L175 R180R168-A172 PolarHBondContact O-N 3.29Å; L169-A172 WeakPolarHBondContact O-CB 3.47Å; A170-A172 VanDerWaalsContact C-N 3.33Å; A172-L175 HydrophobicContact CB-CD1 4.22Å; A172-L175 HydrophobicContact CB-CD2 4.39Å; A172-L175 HydrophobicContact CB-CG 4.37Å; A172-R180 PolarHBondContact O-NH1 3.31Å; A172-R180 PolarHBondContact O-NH2 3.48Å; A172-R180 VanDerWaalsContact O-NH2 3.15Å
173P90.5Very high95.7Very high98 Ų9880.3 Ų80.364%0.63639%0.391SS*.SBendtrans-68173.4166.931.3-35.9000111.3L175P173-L175 VanDerWaalsContact C-N 3.3Å; P173-L175 WeakPolarHBondContact O-CG 3.42Å; P173-L175 PolarHBondContact O-N 2.89Å
174D89.8Confident95.7Very high157 Ų15786.6 Ų86.684%0.8441%0.414SS*.SBendtrans56.336.7169.7-47.7-31.9000115.3
175L91.3Very high95.7Very high24 Ų2490.4 Ų90.413%0.12643%0.429CS..  trans-104.9133.3175.7-52.9-171.7000111.5A172 P173 Q179 R180 R183A172-L175 HydrophobicContact CB-CD1 4.22Å; A172-L175 HydrophobicContact CB-CD2 4.39Å; A172-L175 HydrophobicContact CB-CG 4.37Å; P173-L175 VanDerWaalsContact C-N 3.3Å; P173-L175 WeakPolarHBondContact O-CG 3.42Å; P173-L175 PolarHBondContact O-N 2.89Å; L175-Q179 HydrophobicContact CB-CB 4.46Å; L175-R180 HydrophobicContact CB-CB 4.26Å; L175-R180 HydrophobicContact CD1-CB 4.38Å; L175-R180 HydrophobicContact CD1-CG 4.49Å; L175-R183 VanDerWaalsContact CD2-NH2 3.34Å
176S95.9Very high95.7Very high58 Ų5893 Ų9341%0.40644%0.442SS..  trans-64.4155.5165.271.80000110.9E178 Q179 R180S176-E178 VanDerWaalsContact C-N 3.28Å; S176-E178 PolarHBondContact O-N 3.28Å; S176-Q179 WeakPolarHBondContact O-CB 3.49Å; S176-Q179 PolarHBondContact O-N 3.33Å; S176-Q179 VanDerWaalsContact OG-CG 3.26Å; S176-Q179 WeakPolarHBondContact OG-CG 3.39Å; S176-Q179 PolarHBondContact OG-N 2.95Å; S176-R180 PolarHBondContact O-N 3.02Å
177T93.9Very high95.7Very high127 Ų12794.8 Ų94.878%0.77945%0.448SS*.Hα-helixtrans-52.4-46.1179.948.80000112.2R180 R181T177-R180 PolarHBondContact O-N 2.7Å; T177-R181 WeakPolarHBondContact O-CB 3.32Å; T177-R181 PolarHBondContact O-N 3.37Å
178E95.9Very high95.7Very high75 Ų7591 Ų9135%0.3544%0.443SS..Hα-helixtrans-64.7-38.7177.3-179.961.1-17400112.8S176 R182S176-E178 VanDerWaalsContact C-N 3.28Å; S176-E178 PolarHBondContact O-N 3.28Å; E178-R182 WeakPolarHBondContact O-CB 3.33Å; E178-R182 VanDerWaalsContact O-CG 3.3Å; E178-R182 WeakPolarHBondContact O-CG 3.42Å; E178-R182 PolarHBondContact O-N 3.25Å; E178-R182 IonicContact OE1-CZ 3.73Å; E178-R182 IonicContact OE1-NE 2.68Å; E178-R182 PolarHBondContact OE1-NE 3.29Å; E178-R182 IonicContact OE1-NH2 2.65Å; E178-R182 PolarHBondContact OE1-NH2 3.25Å
179Q96.2Very high95.8Very high94 Ų9485.8 Ų85.844%0.43943%0.428SS..Hα-helixtrans-67.8-42.2173.5-72.7171.3-300111.7L175 S176 R182 R183L175-Q179 HydrophobicContact CB-CB 4.46Å; S176-Q179 WeakPolarHBondContact O-CB 3.49Å; S176-Q179 PolarHBondContact O-N 3.33Å; S176-Q179 VanDerWaalsContact OG-CG 3.26Å; S176-Q179 WeakPolarHBondContact OG-CG 3.39Å; S176-Q179 PolarHBondContact OG-N 2.95Å; Q179-R182 PolarHBondContact O-N 3.19Å; Q179-R183 WeakPolarHBondContact O-CG 3.27Å; Q179-R183 PolarHBondContact O-N 3.03Å
180R96.3Very high95.8Very high69 Ų6981.5 Ų81.526%0.2641%0.407SS..Hα-helixtrans-64-41.8177.4-166.3177.4-61.2-74.75.2111A170 A172 L175 S176 T177 R183 R184A170-R180 PolarHBondContact O-NH1 2.94Å; A172-R180 PolarHBondContact O-NH1 3.31Å; A172-R180 PolarHBondContact O-NH2 3.48Å; A172-R180 VanDerWaalsContact O-NH2 3.15Å; L175-R180 HydrophobicContact CB-CB 4.26Å; L175-R180 HydrophobicContact CD1-CB 4.38Å; L175-R180 HydrophobicContact CD1-CG 4.49Å; S176-R180 PolarHBondContact O-N 3.02Å; T177-R180 PolarHBondContact O-N 2.7Å; R180-R183 PolarHBondContact O-N 3.41Å; R180-R184 WeakPolarHBondContact O-CB 3.45Å; R180-R184 WeakPolarHBondContact O-CG 3.45Å; R180-R184 PolarHBondContact O-N 2.99Å
181R96.8Very high96Very high174 Ų17485.2 Ų85.266%0.65743%0.426SS*.Hα-helixtrans-58-50.7172.2-177.7176.1177-113.5-3.6111.6T177 R183 R184 Q185T177-R181 WeakPolarHBondContact O-CB 3.32Å; T177-R181 PolarHBondContact O-N 3.37Å; R181-R183 PolarHBondContact O-N 3.43Å; R181-R184 PolarHBondContact O-N 2.72Å; R181-Q185 PolarHBondContact O-N 2.84Å
182R97.4Very high96.1Very high161 Ų16187.9 Ų87.961%0.60843%0.429SS*.Hα-helixtrans-62.1-38.2178.1-72.2174.2-174-113.9-1.4112.9E178 Q179 Q185 V186E178-R182 WeakPolarHBondContact O-CB 3.33Å; E178-R182 VanDerWaalsContact O-CG 3.3Å; E178-R182 WeakPolarHBondContact O-CG 3.42Å; E178-R182 PolarHBondContact O-N 3.25Å; E178-R182 IonicContact OE1-CZ 3.73Å; E178-R182 IonicContact OE1-NE 2.68Å; E178-R182 PolarHBondContact OE1-NE 3.29Å; E178-R182 IonicContact OE1-NH2 2.65Å; E178-R182 PolarHBondContact OE1-NH2 3.25Å; Q179-R182 PolarHBondContact O-N 3.19Å; R182-Q185 WeakPolarHBondContact O-CB 3.46Å; R182-Q185 PolarHBondContact O-N 3.45Å; R182-V186 WeakPolarHBondContact O-CG2 3.17Å; R182-V186 PolarHBondContact O-N 3.1Å
183R97.9Very high96.3Very high81 Ų8191.6 Ų91.631%0.30644%0.438SS..Hα-helixtrans-72.6-36.4176.4-67.5-174.4-167.4-171.35.3113L169 A170 L175 Q179 R180 R181 Q185 V186 Q187L169-R183 WeakPolarHBondContact O-CD 3.33Å; L169-R183 PolarHBondContact O-NH1 3.46Å; A170-R183 HydrophobicContact CB-CB 4.02Å; L175-R183 VanDerWaalsContact CD2-NH2 3.34Å; Q179-R183 WeakPolarHBondContact O-CG 3.27Å; Q179-R183 PolarHBondContact O-N 3.03Å; R180-R183 PolarHBondContact O-N 3.41Å; R181-R183 PolarHBondContact O-N 3.43Å; R183-Q185 VanDerWaalsContact C-N 3.33Å; R183-V186 PolarHBondContact O-N 3.02Å; R183-Q187 PolarHBondContact O-N 3.15Å
184R97.2Very high96.6Very high136 Ų13687.9 Ų87.951%0.51341%0.413SS..Hα-helixtrans-62-39.4170.3-78.2179.3169.8178.6-6111.6A170 R180 R181 Q187 A188A170-R184 HydrophobicContact CB-CG 4.23Å; R180-R184 WeakPolarHBondContact O-CB 3.45Å; R180-R184 WeakPolarHBondContact O-CG 3.45Å; R180-R184 PolarHBondContact O-N 2.99Å; R181-R184 PolarHBondContact O-N 2.72Å; R184-Q187 PolarHBondContact O-N 3.34Å; R184-A188 PolarHBondContact O-N 2.9Å
185Q97.9Very high97Very high102 Ų10286.2 Ų86.248%0.47740%0.4SS..Hα-helixtrans-60.1-52.2172.2-172.762.855.800111.2R181 R182 R183 Q187 A188 D189R181-Q185 PolarHBondContact O-N 2.84Å; R182-Q185 WeakPolarHBondContact O-CB 3.46Å; R182-Q185 PolarHBondContact O-N 3.45Å; R183-Q185 VanDerWaalsContact C-N 3.33Å; Q185-Q187 PolarHBondContact O-N 3.42Å; Q185-A188 WeakPolarHBondContact O-CB 3.33Å; Q185-A188 PolarHBondContact O-N 3.02Å; Q185-D189 PolarHBondContact NE2-OD1 3.26Å; Q185-D189 PolarHBondContact O-N 3.09Å
186V98.1Very high97.4Very high84 Ų8488.8 Ų88.851%0.50941%0.411SS..Hα-helixtrans-59.4-33.5177.4171.50000112.6A166 R182 R183 A190A166-V186 HydrophobicContact CB-CG1 4.4Å; R182-V186 WeakPolarHBondContact O-CG2 3.17Å; R182-V186 PolarHBondContact O-N 3.1Å; R183-V186 PolarHBondContact O-N 3.02Å; V186-A190 VanDerWaalsContact O-CB 3.27Å; V186-A190 WeakPolarHBondContact O-CB 3.45Å; V186-A190 PolarHBondContact O-N 3.11Å
187Q98.1Very high97.4Very high43 Ų4386.2 Ų86.220%0.20139%0.393CS..Hα-helixtrans-65.6-46.3171.7178.4-173.9-2200111.9A166 R167 A170 R183 R184 Q185 D189 A190 L191A166-Q187 HydrophobicContact CB-CB 4.1Å; R167-Q187 HydrophobicContact CB-CG 4.33Å; A170-Q187 VanDerWaalsContact CB-OE1 3.3Å; R183-Q187 PolarHBondContact O-N 3.15Å; R184-Q187 PolarHBondContact O-N 3.34Å; Q185-Q187 PolarHBondContact O-N 3.42Å; Q187-D189 VanDerWaalsContact C-N 3.35Å; Q187-A190 PolarHBondContact O-N 2.86Å; Q187-L191 HydrophobicContact CG-CD1 4.09Å; Q187-L191 VanDerWaalsContact O-CG 3.31Å; Q187-L191 WeakPolarHBondContact O-CG 3.43Å; Q187-L191 PolarHBondContact O-N 3.34Å
188A98Very high97.5Very high43 Ų4384 Ų8436%0.35537%0.373SS..Hα-helixtrans-63.9-40176.700000111.9R184 Q185 L191 R192R184-A188 PolarHBondContact O-N 2.9Å; Q185-A188 WeakPolarHBondContact O-CB 3.33Å; Q185-A188 PolarHBondContact O-N 3.02Å; A188-L191 PolarHBondContact O-N 2.94Å; A188-R192 WeakPolarHBondContact O-CG 3.43Å; A188-R192 PolarHBondContact O-N 3.03Å
189D98.2Very high97.5Very high57 Ų5786.2 Ų86.231%0.30538%0.384SS..Hα-helixtrans-63.8-44.2176-58.8-23.3000111.2Q185 Q187 L191 R192 R193Q185-D189 PolarHBondContact NE2-OD1 3.26Å; Q185-D189 PolarHBondContact O-N 3.09Å; Q187-D189 VanDerWaalsContact C-N 3.35Å; D189-L191 VanDerWaalsContact C-N 3.35Å; D189-L191 PolarHBondContact O-N 3.45Å; D189-R192 PolarHBondContact O-N 3.06Å; D189-R192 IonicContact OD1-CZ 3.69Å; D189-R192 IonicContact OD1-NE 3.9Å; D189-R192 IonicContact OD1-NH2 2.7Å; D189-R192 PolarHBondContact OD1-NH2 3.3Å; D189-R193 PolarHBondContact O-N 3.26Å
190A98.1Very high97.5Very high7 Ų785.9 Ų85.96%0.05838%0.382CS..Hα-helixtrans-65.1-35.8176.700000112.9Q159 I162 A163 A166 V186 Q187 L194Q159-A190 PolarHBondContact NE2-O 2.91Å; I162-A190 HydrophobicContact CG2-CB 4.24Å; A163-A190 HydrophobicContact CB-CB 4.19Å; A166-A190 HydrophobicContact CB-CB 4.33Å; V186-A190 VanDerWaalsContact O-CB 3.27Å; V186-A190 WeakPolarHBondContact O-CB 3.45Å; V186-A190 PolarHBondContact O-N 3.11Å; Q187-A190 PolarHBondContact O-N 2.86Å; A190-L194 WeakPolarHBondContact O-CB 3.34Å; A190-L194 PolarHBondContact O-N 3.22Å
191L98.1Very high97.4Very high80 Ų8083.4 Ų83.442%0.41937%0.374SS..Hα-helixtrans-71.5-39.6175.5-72.7168.1000112.5A163 Q187 A188 D189 L194 H195A163-L191 HydrophobicContact CB-CD2 4.01Å; A163-L191 HydrophobicContact CB-CG 4.44Å; Q187-L191 HydrophobicContact CG-CD1 4.09Å; Q187-L191 VanDerWaalsContact O-CG 3.31Å; Q187-L191 WeakPolarHBondContact O-CG 3.43Å; Q187-L191 PolarHBondContact O-N 3.34Å; A188-L191 PolarHBondContact O-N 2.94Å; D189-L191 VanDerWaalsContact C-N 3.35Å; D189-L191 PolarHBondContact O-N 3.45Å; L191-L194 WeakPolarHBondContact O-CB 3.41Å; L191-L194 PolarHBondContact O-N 3.09Å; L191-H195 PolarHBondContact O-N 3.17Å; L191-H195 VanDerWaalsContact O-N 3.1Å
192R98.3Very high97.2Very high152 Ų15276 Ų7657%0.57435%0.352SS*.Hα-helixtrans-60.8-47172.7-72.4-172.8-63.5146.8-3.9111.2A188 D189 L194 H195 E196A188-R192 WeakPolarHBondContact O-CG 3.43Å; A188-R192 PolarHBondContact O-N 3.03Å; D189-R192 PolarHBondContact O-N 3.06Å; D189-R192 IonicContact OD1-CZ 3.69Å; D189-R192 IonicContact OD1-NE 3.9Å; D189-R192 IonicContact OD1-NH2 2.7Å; D189-R192 PolarHBondContact OD1-NH2 3.3Å; R192-L194 VanDerWaalsContact C-N 3.26Å; R192-L194 PolarHBondContact O-N 3.07Å; R192-H195 PolarHBondContact O-N 3.07Å; R192-H195 VanDerWaalsContact O-N 3.17Å; R192-E196 PolarHBondContact O-N 2.91Å
193R97.9Very high97Very high102 Ų10272 Ų7239%0.38534%0.343SS..Hα-helixtrans-65.2-28.2177.1-177.155.7178.3-176.93.6113.2Q159 D189 E196 L197Q159-R193 HydrophobicContact CG-CG 4.39Å; D189-R193 PolarHBondContact O-N 3.26Å; R193-E196 WeakPolarHBondContact CD-OE2 3.41Å; R193-E196 IonicContact CZ-OE2 3.02Å; R193-E196 IonicContact NE-OE2 2.82Å; R193-E196 IonicContact NH1-OE2 3.6Å; R193-E196 PolarHBondContact NH1-OE2 3.22Å; R193-L197 HydrophobicContact CG-CD1 4.43Å; R193-L197 WeakPolarHBondContact O-CG 3.35Å; R193-L197 PolarHBondContact O-N 2.98Å
194L98.3Very high96.6Very high20 Ų2070.4 Ų70.411%0.10534%0.342CS..Hα-helixtrans-65.9-48.9171.3178.158.3000111.1V156 Q159 Q160 A190 L191 R192 E196 L197 E198V156-L194 HydrophobicContact CG1-CD1 4.23Å; Q159-L194 HydrophobicContact CB-CD1 4.24Å; Q159-L194 HydrophobicContact CG-CB 3.93Å; Q159-L194 HydrophobicContact CG-CD1 4.23Å; Q160-L194 HydrophobicContact CB-CD1 4.49Å; Q160-L194 HydrophobicContact CG-CD1 3.46Å; Q160-L194 VanDerWaalsContact CG-CD1 3.46Å; Q160-L194 HydrophobicContact CG-CD2 3.83Å; Q160-L194 HydrophobicContact CG-CG 4.3Å; A190-L194 WeakPolarHBondContact O-CB 3.34Å; A190-L194 PolarHBondContact O-N 3.22Å; L191-L194 WeakPolarHBondContact O-CB 3.41Å; L191-L194 PolarHBondContact O-N 3.09Å; R192-L194 VanDerWaalsContact C-N 3.26Å; R192-L194 PolarHBondContact O-N 3.07Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 2.85Å; L194-L197 PolarHBondContact O-N 2.88Å; L194-L197 VanDerWaalsContact O-N 3.09Å; L194-E198 HydrophobicContact CD1-CG 3.94Å; L194-E198 WeakPolarHBondContact CD1-OE1 3.33Å; L194-E198 HydrophobicContact CG-CG 4.33Å; L194-E198 WeakPolarHBondContact O-CG 3.28Å; L194-E198 PolarHBondContact O-N 2.85Å
195H97.9Very high96.2Very high121 Ų12165.8 Ų65.856%0.5632%0.324SS*.Hα-helixtrans-58.9-42.3177.4-170.9-67.1000112L191 R192 L197 E198 E199L191-H195 PolarHBondContact O-N 3.17Å; L191-H195 VanDerWaalsContact O-N 3.1Å; R192-H195 PolarHBondContact O-N 3.07Å; R192-H195 VanDerWaalsContact O-N 3.17Å; H195-L197 VanDerWaalsContact C-N 3.27Å; H195-L197 PolarHBondContact O-N 3.17Å; H195-E198 PolarHBondContact O-N 3.42Å; H195-E199 IonicContact CE1-OE2 2.75Å; H195-E199 IonicContact ND1-OE2 2.91Å; H195-E199 PolarHBondContact ND1-OE2 2.88Å; H195-E199 WeakPolarHBondContact O-CB 3.33Å; H195-E199 PolarHBondContact O-N 3.23Å
196E97.9Very high95.7Very high79 Ų7964 Ų6437%0.36933%0.327SS..Hα-helixtrans-56-39.7174.8-71.4169.6-162.300112.8R192 R193 L194 Q200R192-E196 PolarHBondContact O-N 2.91Å; R193-E196 WeakPolarHBondContact CD-OE2 3.41Å; R193-E196 IonicContact CZ-OE2 3.02Å; R193-E196 IonicContact NE-OE2 2.82Å; R193-E196 IonicContact NH1-OE2 3.6Å; R193-E196 PolarHBondContact NH1-OE2 3.22Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 2.85Å; E196-Q200 WeakPolarHBondContact O-CB 3.45Å; E196-Q200 WeakPolarHBondContact O-CG 3.43Å; E196-Q200 PolarHBondContact O-N 3.09Å; E196-Q200 PolarHBondContact O-NE2 3.04Å
197L97.4Very high95.1Very high3 Ų368.2 Ų68.22%0.01633%0.334CS..Hα-helixtrans-79.4-35.9-179.6-68.4167000112.3L152 E155 V156 Q159 R193 L194 H195 Q200 L201L152-L197 HydrophobicContact CD1-CD2 3.91Å; E155-L197 HydrophobicContact CG-CD1 3.91Å; E155-L197 HydrophobicContact CG-CD2 3.97Å; V156-L197 HydrophobicContact CG2-CB 3.68Å; Q159-L197 HydrophobicContact CB-CD1 3.72Å; Q159-L197 HydrophobicContact CG-CD1 3.92Å; R193-L197 HydrophobicContact CG-CD1 4.43Å; R193-L197 WeakPolarHBondContact O-CG 3.35Å; R193-L197 PolarHBondContact O-N 2.98Å; L194-L197 PolarHBondContact O-N 2.88Å; L194-L197 VanDerWaalsContact O-N 3.09Å; H195-L197 VanDerWaalsContact C-N 3.27Å; H195-L197 PolarHBondContact O-N 3.17Å; L197-Q200 PolarHBondContact O-N 2.93Å; L197-L201 VanDerWaalsContact O-CB 3.3Å; L197-L201 WeakPolarHBondContact O-CB 3.19Å; L197-L201 PolarHBondContact O-N 2.82Å
198E95.8Very high94.4Very high81 Ų8167.3 Ų67.338%0.37933%0.33SS..Hα-helixtrans-69.1-35.2174.6-71.3177.9163.300111.4V156 Q160 L194 H195 L201 G202V156-E198 HydrophobicContact CG1-CG 3.84Å; V156-E198 HydrophobicContact CG2-CG 4.38Å; Q160-E198 PolarHBondContact NE2-OE1 2.98Å; L194-E198 HydrophobicContact CD1-CG 3.94Å; L194-E198 WeakPolarHBondContact CD1-OE1 3.33Å; L194-E198 HydrophobicContact CG-CG 4.33Å; L194-E198 WeakPolarHBondContact O-CG 3.28Å; L194-E198 PolarHBondContact O-N 2.85Å; H195-E198 PolarHBondContact O-N 3.42Å; E198-L201 PolarHBondContact O-N 2.65Å; E198-G202 PolarHBondContact O-N 2.89Å
199E96.2Very high93.2Very high122 Ų12268.2 Ų68.257%0.5734%0.344SS*.Hα-helixtrans-64.9-50.8170.1-174.4173174.400110.9H195 L201 G202 D203H195-E199 IonicContact CE1-OE2 2.75Å; H195-E199 IonicContact ND1-OE2 2.91Å; H195-E199 PolarHBondContact ND1-OE2 2.88Å; H195-E199 WeakPolarHBondContact O-CB 3.33Å; H195-E199 PolarHBondContact O-N 3.23Å; E199-L201 VanDerWaalsContact C-N 3.26Å; E199-L201 PolarHBondContact O-N 3.21Å; E199-G202 PolarHBondContact O-N 3.37Å; E199-G202 VanDerWaalsContact O-N 3.14Å; E199-D203 VanDerWaalsContact O-CB 3.31Å; E199-D203 WeakPolarHBondContact O-CB 3.41Å; E199-D203 PolarHBondContact O-N 2.98Å
200Q96Very high92Very high86 Ų8668.9 Ų68.940%0.40235%0.347SS..Hα-helixtrans-56.9-38.2173.7-75.4165.226.900112.6L152 E196 L197 D203 V204L152-Q200 HydrophobicContact CD1-CB 4.45Å; L152-Q200 HydrophobicContact CD2-CB 4.14Å; E196-Q200 WeakPolarHBondContact O-CB 3.45Å; E196-Q200 WeakPolarHBondContact O-CG 3.43Å; E196-Q200 PolarHBondContact O-N 3.09Å; E196-Q200 PolarHBondContact O-NE2 3.04Å; L197-Q200 PolarHBondContact O-N 2.93Å; Q200-D203 PolarHBondContact O-N 3.47Å; Q200-V204 WeakPolarHBondContact O-CG2 3.45Å; Q200-V204 PolarHBondContact O-N 2.95Å
201L94.7Very high90.2Very high17 Ų1773.1 Ų73.19%0.08937%0.374CS..Hα-helixtrans-66.8-43.3176.9-178.566.5000111.7L149 L152 E153 V156 L197 E198 E199 D203 R205L149-L201 HydrophobicContact CD1-CD1 3.46Å; L149-L201 VanDerWaalsContact CD1-CD1 3.46Å; L152-L201 HydrophobicContact CD2-CB 4.24Å; L152-L201 HydrophobicContact CD2-CD1 4.3Å; L152-L201 HydrophobicContact CG-CB 4.37Å; L152-L201 HydrophobicContact CG-CD1 4.25Å; E153-L201 HydrophobicContact CG-CD1 3.41Å; E153-L201 VanDerWaalsContact CG-CD1 3.41Å; E153-L201 HydrophobicContact CG-CD2 4.11Å; E153-L201 HydrophobicContact CG-CG 4.41Å; V156-L201 HydrophobicContact CG2-CB 4.39Å; V156-L201 HydrophobicContact CG2-CD2 4.29Å; L197-L201 VanDerWaalsContact O-CB 3.3Å; L197-L201 WeakPolarHBondContact O-CB 3.19Å; L197-L201 PolarHBondContact O-N 2.82Å; E198-L201 PolarHBondContact O-N 2.65Å; E199-L201 VanDerWaalsContact C-N 3.26Å; E199-L201 PolarHBondContact O-N 3.21Å; L201-D203 VanDerWaalsContact C-N 3.3Å; L201-R205 WeakPolarHBondContact O-CB 3.3Å; L201-R205 VanDerWaalsContact O-CG 3.27Å; L201-R205 WeakPolarHBondContact O-CG 3.33Å; L201-R205 PolarHBondContact O-N 3.22Å
202G92.2Very high88.2Confident19 Ų1974 Ų7420%0.19638%0.382CS..Hα-helixtrans-60.5-41.9172.600000111.9E198 E199 R205 A206E198-G202 PolarHBondContact O-N 2.89Å; E199-G202 PolarHBondContact O-N 3.37Å; E199-G202 VanDerWaalsContact O-N 3.14Å; G202-R205 PolarHBondContact O-N 3.29Å; G202-A206 VanDerWaalsContact O-CB 3.24Å; G202-A206 WeakPolarHBondContact O-CB 3.5Å; G202-A206 PolarHBondContact O-N 3.34Å
203D92.1Very high86Confident78 Ų7872.6 Ų72.642%0.41739%0.385SS..Hα-helixtrans-66.5-43.5-178.9-147.650.7000112.1E199 Q200 L201 R207E199-D203 VanDerWaalsContact O-CB 3.31Å; E199-D203 WeakPolarHBondContact O-CB 3.41Å; E199-D203 PolarHBondContact O-N 2.98Å; Q200-D203 PolarHBondContact O-N 3.47Å; L201-D203 VanDerWaalsContact C-N 3.3Å; D203-R207 WeakPolarHBondContact O-CD 3.31Å; D203-R207 WeakPolarHBondContact O-CG 3.45Å; D203-R207 PolarHBondContact O-N 2.87Å; D203-R207 PolarHBondContact O-NE 3.32Å; D203-R207 IonicContact OD1-NH2 3.46Å; D203-R207 IonicContact OD2-CZ 2.68Å; D203-R207 VanDerWaalsContact OD2-CZ 3.28Å; D203-R207 IonicContact OD2-NE 3.69Å; D203-R207 PolarHBondContact OD2-NE 3.3Å; D203-R207 VanDerWaalsContact OD2-NE 3.09Å; D203-R207 IonicContact OD2-NH2 3.61Å; D203-R207 PolarHBondContact OD2-NH2 2.92Å
204V89.4Confident83.7Confident46 Ų4673.3 Ų73.328%0.27940%0.403SS..Hα-helixtrans-64.7-49.9171.7175.10000110.6L149 L152 Q200 A206 R207 L208L149-V204 HydrophobicContact CB-CG1 4.43Å; L149-V204 HydrophobicContact CD1-CB 4.48Å; L149-V204 HydrophobicContact CD1-CG1 3.96Å; L152-V204 HydrophobicContact CD2-CG2 4.09Å; Q200-V204 WeakPolarHBondContact O-CG2 3.45Å; Q200-V204 PolarHBondContact O-N 2.95Å; V204-A206 VanDerWaalsContact C-N 3.28Å; V204-A206 PolarHBondContact O-N 3.5Å; V204-R207 PolarHBondContact O-N 3.17Å; V204-R207 VanDerWaalsContact O-N 3.15Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.36Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.23Å; V204-L208 PolarHBondContact O-N 3.12Å
205R89.4Confident81.4Confident39 Ų3977.5 Ų77.515%0.14743%0.425CS..Hα-helixtrans-58-40178.9-74.2172.9173.2-170.4-3.3112.1L149 E153 L201 G202 L208 G209 L210L149-R205 HydrophobicContact CD1-CG 4.01Å; E153-R205 IonicContact OE1-CZ 3.28Å; E153-R205 IonicContact OE1-NE 2.7Å; E153-R205 PolarHBondContact OE1-NE 2.89Å; E153-R205 IonicContact OE1-NH2 3.09Å; E153-R205 PolarHBondContact OE1-NH2 2.78Å; E153-R205 IonicContact OE2-NH2 3.9Å; L201-R205 WeakPolarHBondContact O-CB 3.3Å; L201-R205 VanDerWaalsContact O-CG 3.27Å; L201-R205 WeakPolarHBondContact O-CG 3.33Å; L201-R205 PolarHBondContact O-N 3.22Å; G202-R205 PolarHBondContact O-N 3.29Å; R205-L208 CarbonylContact O-C 3.48Å; R205-L208 PolarHBondContact O-N 3.17Å; R205-G209 PolarHBondContact O-N 3.04Å; R205-G209 VanDerWaalsContact O-N 3.11Å; R205-L210 HydrophobicContact CB-CB 4.18Å; R205-L210 HydrophobicContact CG-CB 4.46Å; R205-L210 PolarHBondContact O-N 3.04Å
206A87Confident78.8Confident64 Ų6477.2 Ų77.253%0.52943%0.434SS..Hα-helixtrans-65.1-43.4175.700000112.8G202 V204 L208 G209G202-A206 VanDerWaalsContact O-CB 3.24Å; G202-A206 WeakPolarHBondContact O-CB 3.5Å; G202-A206 PolarHBondContact O-N 3.34Å; V204-A206 VanDerWaalsContact C-N 3.28Å; V204-A206 PolarHBondContact O-N 3.5Å; A206-L208 PolarHBondContact O-N 2.99Å; A206-G209 PolarHBondContact O-N 3.37Å; A206-G209 VanDerWaalsContact O-N 3.1Å
207R86.4Confident76.2Confident173 Ų17380.9 Ų80.965%0.65345%0.451SS*.Hα-helixtrans-60.7-29.6173.9-68.5157.8-165.5-78.1-2.1112.5D203 V204D203-R207 WeakPolarHBondContact O-CD 3.31Å; D203-R207 WeakPolarHBondContact O-CG 3.45Å; D203-R207 PolarHBondContact O-N 2.87Å; D203-R207 PolarHBondContact O-NE 3.32Å; D203-R207 IonicContact OD1-NH2 3.46Å; D203-R207 IonicContact OD2-CZ 2.68Å; D203-R207 VanDerWaalsContact OD2-CZ 3.28Å; D203-R207 IonicContact OD2-NE 3.69Å; D203-R207 PolarHBondContact OD2-NE 3.3Å; D203-R207 VanDerWaalsContact OD2-NE 3.09Å; D203-R207 IonicContact OD2-NH2 3.61Å; D203-R207 PolarHBondContact OD2-NH2 2.92Å; V204-R207 PolarHBondContact O-N 3.17Å; V204-R207 VanDerWaalsContact O-N 3.15Å
208L82.9Confident73.4Confident24 Ų2486.8 Ų86.813%0.12649%0.49CS..THydrogen-bonded Turntrans-92.52.9178.1-59.7-174.7000113.9L141 L149 V204 R205 A206 L210L141-L208 HydrophobicContact CD1-CD1 4.15Å; L141-L208 HydrophobicContact CD2-CB 4.02Å; L141-L208 HydrophobicContact CD2-CD1 3.82Å; L141-L208 HydrophobicContact CD2-CD2 3.6Å; L141-L208 HydrophobicContact CD2-CG 3.98Å; L149-L208 HydrophobicContact CD2-CD1 4.34Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.36Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.23Å; V204-L208 PolarHBondContact O-N 3.12Å; R205-L208 CarbonylContact O-C 3.48Å; R205-L208 PolarHBondContact O-N 3.17Å; A206-L208 PolarHBondContact O-N 2.99Å; L208-L210 HydrophobicContact CB-CD1 4.34Å; L208-L210 HydrophobicContact CB-CG 4.21Å; L208-L210 PolarHBondContact O-N 3.2Å
209G72.1Confident70.3Confident62 Ų6290.7 Ų90.764%0.63951%0.513SS*.THydrogen-bonded Turntrans68.211.3-178.900000115R205 A206R205-G209 PolarHBondContact O-N 3.04Å; R205-G209 VanDerWaalsContact O-N 3.11Å; A206-G209 PolarHBondContact O-N 3.37Å; A206-G209 VanDerWaalsContact O-N 3.1Å
210L73.1Confident67.7Low72 Ų7290.6 Ų90.638%0.37752%0.522SS..  trans-78.7132.4179.4-63.9176.4000110.1L149 R205 L208 V212L149-L210 HydrophobicContact CD2-CD1 3.94Å; R205-L210 HydrophobicContact CB-CB 4.18Å; R205-L210 HydrophobicContact CG-CB 4.46Å; R205-L210 PolarHBondContact O-N 3.04Å; L208-L210 HydrophobicContact CB-CD1 4.34Å; L208-L210 HydrophobicContact CB-CG 4.21Å; L208-L210 PolarHBondContact O-N 3.2Å; L210-V212 PolarHBondContact O-N 3.29Å
211P61Low64.7Low96 Ų9694.8 Ų94.862%0.62355%0.547SS*.  trans-63.8132.7179.926.3-34000110.7L213P211-L213 PolarHBondContact O-N 3.48Å
212V55.3Low61.6Low97 Ų9799.5 Ų99.559%0.58858%0.581SS**  trans-7378.4174.6-175.70000109.2L210L210-V212 PolarHBondContact O-N 3.29Å
213L53.3Low58.8Low123 Ų123105.4 Ų105.464%0.64461%0.613SS**PPolyproline II helixtrans-72.7123.7167-68175.9000108.6P211 L215P211-L213 PolarHBondContact O-N 3.48Å; L213-L215 PolarHBondContact O-N 3.49Å
214P49Very low55.9Low118 Ų118105.1 Ų105.177%0.76663%0.629SS**PPolyproline II helixtrans-63.4126.4170.726.6-32.5000108.9
215L49.9Very low53.2Low107 Ų107108.7 Ų108.756%0.5666%0.656SS**PPolyproline II helixtrans-62.6141.6-179.5-168.369.2000109.9L213 Q217L213-L215 PolarHBondContact O-N 3.49Å; L215-Q217 PolarHBondContact O-N 3.47Å; L215-Q217 VanDerWaalsContact O-N 3.09Å
216P43.2Very low50.4Low116 Ų116112.5 Ų112.575%0.75368%0.684SS**PPolyproline II helixtrans-56.8117.4-176.4-27.636000112.9
217Q42.8Very low47.8Very low155 Ų155116.3 Ų116.372%0.72469%0.693SS**PPolyproline II helixtrans-65138.5168.1-65.6-178.3-7.900109.1L215 L219L215-Q217 PolarHBondContact O-N 3.47Å; L215-Q217 VanDerWaalsContact O-N 3.09Å; Q217-L219 PolarHBondContact O-N 2.91Å; Q217-L219 VanDerWaalsContact O-N 3.14Å
218P39.6Very low45.2Very low127 Ų127114.6 Ų114.683%0.82570%0.703SS**PPolyproline II helixtrans-64.6116.8177.226-33.2000109.9
219L30.9Very low42.8Very low164 Ų164118 Ų11886%0.85973%0.734SS**PPolyproline II helixtrans-58.1129.3-177.2-68.9166.2000111.3Q217Q217-L219 PolarHBondContact O-N 2.91Å; Q217-L219 VanDerWaalsContact O-N 3.14Å
220P41.1Very low40.9Very low119 Ų119124.5 Ų124.577%0.77375%0.748SS**PPolyproline II helixtrans-68.5143167.429.6-33.1000110.2S222P220-S222 PolarHBondContact O-N 2.82Å
221L32.5Very low39.4Very low175 Ų175125 Ų12592%0.91677%0.771SS**PPolyproline II helixtrans-65.8128.5176.6-76.2161.4000110.5T223L221-T223 PolarHBondContact O-N 2.88Å
222S30.5Very low38.2Very low115 Ų115126.5 Ų126.580%0.80478%0.778SS**PPolyproline II helixtrans-73.7120.5-176.2-173.40000112.1P220P220-S222 PolarHBondContact O-N 2.82Å
223T32.5Very low37.5Very low143 Ų143128 Ų12888%0.87779%0.791SS**  trans-118.1124.9150.433.90000106.4L221L221-T223 PolarHBondContact O-N 2.88Å
224G32.6Very low36.9Very low73 Ų73128.4 Ų128.475%0.75379%0.793SS**  trans-91.2153.7-152.900000115.7
225S31.3Very low36.5Very low121 Ų121125.7 Ų125.785%0.84679%0.786SS**  trans-146147.2145.5-170.50000110.8
226V31.5Very low36.4Very low119 Ų119129.3 Ų129.372%0.72180%0.803SS**  trans-72.7165.5163-139.10000107
227I32Very low36.2Very low143 Ų143131.3 Ų131.373%0.73380%0.795SS**  cis-153.2178.220.1-35.5155.6000110.4
228T31.5Very low36.1Very low138 Ų138130.8 Ų130.885%0.84780%0.797SS**  trans89.8145.8158.366.30000118.7
229A33.6Very low36.3Very low96 Ų96131 Ų13179%0.79380%0.796SS**  trans-127.4134.8-177.900000110.1
230Q32.7Very low36.5Very low198 Ų198128 Ų12893%0.92578%0.777SS**  trans-158.3132150.4-108.4169.223.600107.6
231G41.3Very low36.3Very low83 Ų83129 Ų12986%0.85678%0.775SS**  trans-92.7121.1-172.900000112.6
232V35Very low36.6Very low127 Ų127125 Ų12577%0.7776%0.763SS**  trans-138.9137.2162.3-171.60000108.3L234V232-L234 PolarHBondContact O-N 2.76Å
233C41.1Very low36.7Very low127 Ų127126.4 Ų126.486%0.85876%0.756SS**  trans-67.9122.9-176.9-57.60000111.8
234L40.2Very low36.8Very low132 Ų132125.3 Ų125.369%0.69174%0.741SS**  trans-114.977.5177-69.8-180000112.2V232V232-L234 PolarHBondContact O-N 2.76Å
235G40.5Very low37.2Very low61 Ų61127.5 Ų127.563%0.62974%0.736SS**  trans-67.4159.6145.500000110
236M47.8Very low37.7Very low184 Ų184125.9 Ų125.991%0.90672%0.72SS**  trans63.263.9172.1-55.9170.86200116.4
237R40.3Very low38.1Very low157 Ų157125.4 Ų125.459%0.59272%0.718SS**  trans-125.521164.2-78.2-72.7175.5161.6-0.5114.9
238L39.7Very low38.4Very low144 Ų144125.5 Ų125.575%0.75472%0.719SS**THydrogen-bonded Turntrans-84.6-11179.4-109.9168.2000114.9Q240L238-Q240 VanDerWaalsContact C-N 3.27Å; L238-Q240 PolarHBondContact O-N 3.18Å
239T43.4Very low38.4Very low133 Ų133127.5 Ų127.582%0.81672%0.718SS**THydrogen-bonded Turntrans-80.2-1.7175.740.60000114.1
240Q35.9Very low38.4Very low99 Ų99127.2 Ų127.246%0.46371%0.71SS.*  trans-113.434.2-168.5-152.3-174.8-7.900114.2L238L238-Q240 VanDerWaalsContact C-N 3.27Å; L238-Q240 PolarHBondContact O-N 3.18Å
241L37.6Very low38.5Very low140 Ų140126.2 Ų126.273%0.73371%0.706SS**SBendtrans-119.734.3166.3-69.1175.7000111.2E244L241-E244 WeakPolarHBondContact CA-OE1 3.15Å
242S36.9Very low38Very low93 Ų93127.6 Ų127.665%0.6570%0.702SS**SBendtrans-129.37.7-179.7-173.10000112.4
243Q34.5Very low37.7Very low143 Ų143127.2 Ų127.267%0.66871%0.705SS**SBendtrans-124.5-10.6-167.1-163.5158.57.400114.4
244E34.3Very low37.2Very low121 Ų121126.9 Ų126.957%0.56571%0.705SS**SBendtrans-77.2-26.9169.849.1-89.791.500114L241 V246L241-E244 WeakPolarHBondContact CA-OE1 3.15Å; E244-V246 PolarHBondContact O-N 2.77Å
245D40Very low36.8Very low119 Ų119128.7 Ų128.764%0.63671%0.714SS**SBendtrans-86.21.6-174.5-115.4-9.1000114.7
246V41.5Very low36.2Very low86 Ų86132 Ų13252%0.52173%0.727SS.*SBendtrans-106.6-24-172.7-177.40000112.8E244 L248 S250E244-V246 PolarHBondContact O-N 2.77Å; V246-L248 PolarHBondContact O-N 2.7Å; V246-S250 PolarHBondContact O-OG 2.97Å
247V40.5Very low35.4Very low110 Ų110132.7 Ų132.767%0.66773%0.728SS**THydrogen-bonded Turntrans-77.5-21.8-164.71790000114.1
248L38.1Very low34.9Very low145 Ų145130.9 Ų130.976%0.75974%0.739SS**THydrogen-bonded Turntrans-97.3-0.1-167.4-66.7179.1000116.6V246V246-L248 PolarHBondContact O-N 2.7Å
249H32.7Very low34.5Very low180 Ų180127.9 Ų127.983%0.83374%0.744SS**SBendtrans-14339.2178.5-69.3-47.6000113.7
250S32Very low33.8Very low89 Ų89126.6 Ų126.662%0.62275%0.746SS**  trans-105.130.7-179.6-64.90000114.8V246 S252V246-S250 PolarHBondContact O-OG 2.97Å; S250-S252 VanDerWaalsContact C-N 3.33Å; S250-S252 PolarHBondContact O-N 3.03Å
251E34.7Very low33.4Very low177 Ų177127.2 Ų127.283%0.82776%0.762SS**  trans-90.643176.760.8-177.3101.300113.9
252S31.5Very low33Very low112 Ų112128.7 Ų128.778%0.78377%0.765SS**  trans-163.284.4171.8-82.80000112.9S250S250-S252 VanDerWaalsContact C-N 3.33Å; S250-S252 PolarHBondContact O-N 3.03Å
253S29.6Very low32.7Very low120 Ų120130 Ų13084%0.83977%0.765SS**  trans-165.3100162.3-81.40000111.4
254S29.5Very low32.5Very low120 Ų120129.9 Ų129.984%0.83977%0.768SS**  trans-16884.9162.4-950000110.7
255L31.3Very low32.3Very low170 Ų170131.6 Ų131.689%0.8978%0.776SS**  trans-150.391.2163.4-82-173.9000110.2
256S29.3Very low32.1Very low129 Ų129134.6 Ų134.690%0.90279%0.787SS**  trans157.599138.7-70.20000110.6
257E29.8Very low32.5Very low200 Ų200134.7 Ų134.794%0.93579%0.789SS**  trans-110.8165145.6-166.9160.5103.600108.3
258S30.5Very low32.1Very low118 Ų118138.4 Ų138.483%0.82580%0.799SS**  trans-92.6152.1-153.9-61.30000115.3
259G31.5Very low31.6Very low82 Ų82135.4 Ų135.485%0.84580%0.803SS**  trans88120.7140.800000117.2
260A27.8Very low31.2Very low105 Ų105131.8 Ų131.887%0.86880%0.797SS**  trans-147.2106.4167.400000111.9
261S27.3Very low30.9Very low113 Ų113136.1 Ų136.179%0.7980%0.804SS**  trans-162.3104152.9570000107.5
262H30.6Very low30.4Very low171 Ų171132.9 Ų132.979%0.79280%0.801SS**  76.1115.993.1-152.9-47.3000110.5
263D30.5Very low30.3Very low121 Ų121135.4 Ų135.465%0.64781%0.805SS**  cis-154.1163.82.5-117.9-174.9000110.9
264N29.1Very low30.2Very low140 Ų140134 Ų13475%0.74980%0.801SS**  trans162.4138.5130.3-97.916.2000114.8
265E30.5Very low30.1Very low157 Ų157137.3 Ų137.373%0.73480%0.803SS**  trans39.2111.7145.3-35.8-53.168.400122.2
266E36.4Very low30Very low182 Ų182139.8 Ų139.885%0.8580%0.8SS**  6.9159.6123.8-123.887.9-145.500121.2
267P49.3Very low30.7Very low88 Ų88138.4 Ų138.457%0.57179%0.788SS**  -131.3-145.9-7945.4-29.9000112.7
268H33Very low30.5Very low188 Ų188134 Ų13487%0.8778%0.78SS**  trans88.9152.9170.7-48-69.4000118.3
269G26.5Very low31.8Very low82 Ų82134 Ų13485%0.84578%0.777SS**  trans12693.5165.600000115.3
270C24.1Very low32.3Very low104 Ų104135.9 Ų135.970%0.70377%0.774SS**  trans-89.1173.2-179.9-160.50000113.1
271F27Very low32.7Very low179 Ų179140.4 Ų140.479%0.78578%0.775SS**  trans84.295.8165.6-53-68.2000120.2
272S24Very low32.8Very low109 Ų109139.1 Ų139.176%0.76277%0.771SS**  41.1141.6106-50.10000123
273L27.8Very low32.6Very low166 Ų166142 Ų14287%0.86978%0.775SS**  trans104.798.5134.3-144.395.6000120.1
274A28.6Very low32.7Very low90 Ų90141.4 Ų141.474%0.74477%0.772SS**  trans65.7-178.513500000122.3
275E26.7Very low32.9Very low189 Ų189141.1 Ų141.188%0.88377%0.766SS**  trans64.296172-78-176.1109.800122.1
276R30.3Very low33.1Very low222 Ų222140 Ų14084%0.83876%0.764SS**  -38165127.4-116.3-179.4170.4159.4-2.3112.5
277P42.9Very low33Very low100 Ų100141.3 Ų141.365%0.64976%0.761SS**  cis-148140.212.833.1-8.7000119.6
278S26Very low32.2Very low109 Ų109141.2 Ų141.276%0.76277%0.768SS**  trans69.7-171.3140.5-34.90000117.4
279P57.6Low32.1Very low116 Ų116138.3 Ų138.375%0.75376%0.763SS**  trans-126.4-168.1-135.438.9-14.8000114.5
280P42.8Very low32.3Very low123 Ų123139.9 Ų139.980%0.79976%0.761SS**  -153.7-176.89141.3-21.8000117.1
281K34.8Very low32.5Very low200 Ų200138.7 Ų138.787%0.8777%0.766SS**  trans-64158.3176.7-45.5144.1-179.3171.20113.7
282A31Very low32.6Very low86 Ų86134 Ų13471%0.71177%0.768SS**  -164.7134.1128.100000114.2
283W25.4Very low32.9Very low232 Ų232134.2 Ų134.288%0.87977%0.77SS**  37.3144.2122.2-68.761.7000121.3
284D32.8Very low33.8Very low108 Ų108131.3 Ų131.358%0.57876%0.761SS**  cis-170.6171.7-12.5-16414000111.5
285Q34.2Very low34Very low134 Ų134134 Ų13463%0.62676%0.758SS**  trans75.1144.3144-100.1172.285.900123.7
286L34.1Very low34.5Very low133 Ų133135.5 Ų135.570%0.69676%0.755SS**  trans71.8144.3156.2-61.2158.1000117.9
287R34.8Very low34.7Very low210 Ų210136.2 Ų136.279%0.79276%0.758SS**  cis-167.2122-11.9163.7177-85.1-103.51.8111.9
288A32Very low34.4Very low86 Ų86137.8 Ų137.871%0.71177%0.766SS**  trans61.6169.1145.100000118.4
289V30.5Very low35.1Very low126 Ų126138 Ų13876%0.76477%0.765SS**  cis-158.6151-21.2119.30000109.2
290S31.8Very low33.8Very low116 Ų116144.4 Ų144.481%0.81177%0.774SS**  trans60.7154.7170.9-68.90000117.3
291G27.4Very low33.4Very low78 Ų78148 Ų14880%0.80478%0.777SS**  cis126107-1.800000111.7
292G28.6Very low34.3Very low80 Ų80144 Ų14483%0.82577%0.772SS**  trans175.694.9-17900000114.5
293S31.3Very low35.2Very low114 Ų114145.2 Ų145.280%0.79777%0.772SS**  trans-71.8160.8145-131.50000107.9
294P46.7Very low36.2Very low105 Ų105140 Ų14068%0.68277%0.769SS**  cis-150.6-173.23843.7-22.3000117.4
295E31.7Very low36.6Very low146 Ų146140 Ų14068%0.68278%0.777SS**  trans27.5121.5147.5-100.467.2-175.800121.3
296R38.3Very low36.7Very low221 Ų221140.4 Ų140.483%0.83478%0.783SS**  -179.2138.397.3-93.7-180-131.1-60.44114.4
297R34.5Very low37Very low237 Ų237140.6 Ų140.689%0.89478%0.784SS**  trans31.5141148-59.9-173.2-178.3-117.2-1122.5
298T36.1Very low36.9Very low134 Ų134140.4 Ų140.482%0.82279%0.785SS**  trans-61.2174.2159.648.10000113.2
299P41.5Very low36.9Very low114 Ų114139.5 Ų139.574%0.7479%0.785SS**  cis-130179.9642.8-27.7000115.5
300W30.1Very low37.2Very low250 Ų250140.6 Ų140.695%0.94779%0.786SS**  trans-123.4132166.8-77.392.8000112.7
301K33.4Very low37.6Very low197 Ų197141.2 Ų141.286%0.85778%0.779SS**  trans-142.9160.6160.3-103.8-167.8174.1-174.40108.4
302P53.9Low38.4Very low116 Ų116146.3 Ų146.375%0.75378%0.78SS**  trans-98.8164-148.637.5-38.5000115.7
303P49.4Very low38.5Very low112 Ų112147.4 Ų147.473%0.72778%0.775SS**  trans-116.7176.715641.6-31.2000111.8
304P46.2Very low38.6Very low123 Ų123151.4 Ų151.480%0.79977%0.772SS**  -132.2177-50.938.7-24.1000112.9
305S42.1Very low38.3Very low107 Ų107155 Ų15575%0.74877%0.772SS**  trans-89.3168173.5-480000112.8
306D35.4Very low38.5Very low143 Ų143154.7 Ų154.777%0.76578%0.776SS**  trans166.1149.5135-998.1000111.3
307L41.4Very low38.3Very low137 Ų137149.3 Ų149.372%0.71777%0.771SS**  cis-123.1-143.8-11.3-68.7106.6000107.8
308Y31.7Very low38.5Very low206 Ų206144.7 Ų144.781%0.80877%0.769SS**  cis-156.9117-3.4-161.2-75.8000112.7
309G33.9Very low38.3Very low68 Ų68142.7 Ų142.770%0.70177%0.767SS**  trans65.8162154.300000120.5
310D36.3Very low38.3Very low148 Ų148143.1 Ų143.179%0.79177%0.772SS**  cis-161.4166.7-23.9-162.27.3000111.2
311L39.7Very low39.1Very low129 Ų129136.3 Ų136.368%0.67576%0.76SS**  trans86.7124.2146.6-127.667.9000121.1
312K43.3Very low39Very low185 Ų185133.3 Ų133.380%0.80476%0.759SS**  trans96.881152.6-52.8-169.2-179.81700121.5
313S30.8Very low38.1Very low104 Ų104133.2 Ų133.273%0.72776%0.761SS**  86.399113.1-167.40000122.8
314R34Very low38.1Very low198 Ų198133.1 Ų133.175%0.74776%0.76SS**  68.6110.2128.5-71.1-170.6168.2-149.92122.9
315R40.2Very low37.3Very low180 Ų180133.7 Ų133.768%0.67976%0.762SS**  72.8110.5114.8-69-175.3-179.4176.9-0.7122.2
316N35.2Very low37.2Very low140 Ų140139.3 Ų139.375%0.74977%0.766SS**  81.2150.5118.1-6112.4000121.8
317S35.7Very low37.2Very low107 Ų107136.9 Ų136.975%0.74876%0.761SS**  trans94.2103.2149-61.90000120.1
318V38.4Very low37.3Very low140 Ų140137.4 Ų137.485%0.84876%0.763SS**  trans10.3156.6132.4-61.80000122.3
319A31.1Very low38.2Very low93 Ų93133.1 Ų133.177%0.76976%0.761SS**  trans91.4115.515700000118.4
320S42.3Very low38.4Very low123 Ų123140.2 Ų140.286%0.8677%0.767SS**  trans-78.4143153.9-45.20000109.8
321P46.3Very low38.5Very low107 Ų107138.4 Ų138.470%0.69577%0.766SS**  trans-144.5173.9135.436.9-21.7000115.1
322T31.1Very low38.2Very low134 Ų134136.8 Ų136.882%0.82277%0.771SS**  trans63.9102.2154.642.40000121.1
323S35Very low37.9Very low114 Ų114133 Ų13380%0.79777%0.768SS**  trans-62.1179.1140.1-24.70000111.1
324P49.1Very low38.3Very low110 Ų110132.9 Ų132.971%0.71477%0.766SS**  cis-149.7-160.530.444.5-22000117.2
325T30.8Very low38.5Very low135 Ų135131.9 Ų131.983%0.82877%0.768SS**  trans70.9138.3170.326.80000116.9
326R39.8Very low38.4Very low224 Ų224131.3 Ų131.385%0.84577%0.773SS**  cis-152140.334.1-157.8-167.8-178.1-140.63.8114.8
327S35.9Very low38.7Very low93 Ų93127.2 Ų127.265%0.6576%0.763SS**  trans52.9111.2149.659.40000122.9
328L42.6Very low39.3Very low147 Ų147134.4 Ų134.477%0.7777%0.774SS**  trans-78.3172.7144.6-64.1169.8000111.3
329P50Low39.4Very low117 Ų117133.3 Ų133.376%0.7677%0.773SS**  -115.9121.7111.732.3-31.9000111.6
330R38.4Very low40.1Very low217 Ų217134.8 Ų134.882%0.81977%0.772SS**  65.2109.790.9-71.8-174.5172.7115.2-3.5112.5
331S39.2Very low40.3Very low110 Ų110134.9 Ų134.977%0.76977%0.77SS**  cis84.3116.123.8-39.30000116.4
332A34Very low40.3Very low95 Ų95134.3 Ų134.379%0.78577%0.774SS**  trans-160.5127.3159.600000105.9
333S36.6Very low40.9Very low106 Ų106133.7 Ų133.774%0.74177%0.77SS**  cis64125.19.8-141.50000113.9
334S38.9Very low41.8Very low100 Ų100134.4 Ų134.470%0.69977%0.772SS**  cis-175.2-178.6-2.933.40000109.4
335F37.1Very low41.3Very low178 Ų178135.2 Ų135.278%0.78178%0.775SS**  trans7895.8147.9-157.3-79.5000117.8
336E39.8Very low41.9Very low168 Ų168136.9 Ų136.979%0.78578%0.778SS**  -159.5159.8122.8-157.652.3-102.700108.3
337G40.7Very low41.9Very low53 Ų53133.1 Ų133.155%0.54678%0.78SS.*  trans-96.8154.4-171.700000116.4
338R47.3Very low42.2Very low259 Ų259140.6 Ų140.698%0.97779%0.794SS**  trans73.2156.9179.9-43.6169.6-174.9-144.7-2.4111.3
339S42Very low41.9Very low117 Ų117137.3 Ų137.382%0.81880%0.795SS**  cis-151.4-168.817.759.40000112.5
340V45.8Very low41.1Very low124 Ų124136.8 Ų136.875%0.75280%0.8SS**  trans-62.1140.4-177-179.30000112.8A342V340-A342 PolarHBondContact O-N 2.98Å
341P47Very low41.1Very low124 Ų124129.8 Ų129.881%0.80580%0.796SS**  trans-67.8111.1168.728.7-34.1000110.9
342A44.7Very low41.5Very low95 Ų95130 Ų13079%0.78580%0.795SS**PPolyproline II helixtrans-77.5157.5-177.800000113.3V340V340-A342 PolarHBondContact O-N 2.98Å
343T43.2Very low41.6Very low122 Ų122133.6 Ų133.675%0.74880%0.796SS**PPolyproline II helixtrans-71142.7175.742.80000112.2V345T343-V345 PolarHBondContact O-N 2.91Å
344P54.1Low41.3Very low128 Ų128135.5 Ų135.583%0.83180%0.797SS**PPolyproline II helixtrans-72.9118.8174.429-33.1000110.8
345V40.4Very low40.9Very low127 Ų127136.5 Ų136.577%0.7780%0.802SS**PPolyproline II helixtrans-87.8128.9174.21770000109.7T343T343-V345 PolarHBondContact O-N 2.91Å
346L42.9Very low40.9Very low171 Ų171137.5 Ų137.590%0.89581%0.806SS**PPolyproline II helixtrans-77.6120.8176.5-66.8173000111
347T39.8Very low41.3Very low144 Ų144134.8 Ų134.888%0.88380%0.803SS**PPolyproline II helixtrans-79137.4176.8-42.30000111.5
348R42.2Very low40.8Very low251 Ų251141.3 Ų141.395%0.94782%0.819SS**  trans-108.3121179.2-174-176.5-170.7175.73.5109.6
349G35.2Very low40.1Very low78 Ų78132.2 Ų132.280%0.80481%0.807SS**  trans-154.6149.3176.900000111.1
350A34.4Very low39.8Very low105 Ų105134 Ų13487%0.86881%0.806SS**  trans-104.2166.4-177.600000112
351G37.9Very low39.3Very low71 Ų71136.6 Ų136.673%0.73281%0.81SS**  trans-75.9-154.6169.200000112.6
352P47.3Very low38.7Very low115 Ų115136.4 Ų136.475%0.74781%0.811SS**  cis-137.9171.623.735.2-14.6000116.1
353Q35.5Very low38.2Very low170 Ų170142.8 Ų142.879%0.79482%0.815SS**  164.8156.3117.7-94-64.19.200115.9
354L31.7Very low37.9Very low146 Ų146142.7 Ų142.776%0.76481%0.806SS**  trans55.798.2148.6-154.770.6000120.8
355C30.5Very low36.8Very low120 Ų120147.9 Ų147.981%0.81181%0.809SS**  -177.8134.5112.4-101.60000112.9
356K36.6Very low36.5Very low200 Ų200147.2 Ų147.287%0.8781%0.81SS**  trans-147145.2163.6-90.2-164.7173.7-170.50107.6
357P47.5Very low36.2Very low111 Ų111143 Ų14372%0.72181%0.808SS**  -138.6178.8100.915.77.6000112.3
358E30.1Very low35.7Very low189 Ų189141.7 Ų141.788%0.88381%0.805SS**  cis-164.9166.1-28-105.2162.7164.100109.1
359G32.5Very low35.5Very low69 Ų69137.9 Ų137.971%0.71180%0.798SS**  trans84.9143.6175.400000115.4
360L35.7Very low35.5Very low155 Ų155142 Ų14281%0.81280%0.802SS**  cis-137.2144.8-4.7-75172.3000111.4
361H35.4Very low35.7Very low178 Ų178141.4 Ų141.482%0.82479%0.791SS**  trans26131.3161.9-57.1-66.8000123.5
362S35.8Very low35.6Very low120 Ų120147.7 Ų147.784%0.83980%0.801SS**  trans-96.8142.5169.8-40.30000112.9
363R34.6Very low35Very low229 Ų229150.7 Ų150.786%0.86481%0.807SS**  trans178.3167.8140.5-96.6-165.5-155.9-90.74.9108.4
364Q35.3Very low34.7Very low120 Ų120146 Ų14656%0.56181%0.805SS**  cis179.6109.6-40.4170.1-169.9-12.600106.6
365W31.9Very low34.8Very low236 Ų236148.5 Ų148.589%0.89481%0.81SS**  trans63.5144.3168.1-58.932.1000113.3
366S33Very low35.4Very low113 Ų113148.5 Ų148.579%0.7981%0.809SS**  cis-150.7171.139.2-63.20000111.2
367G37.4Very low35.1Very low82 Ų82150.5 Ų150.585%0.84581%0.811SS**  trans-81.9141.9166.600000111.9
368S29.4Very low34.5Very low118 Ų118148.8 Ų148.883%0.82581%0.806SS**  trans-126.2146.1151.4-168.80000108.2
369Q38.8Very low34.6Very low171 Ų171147.1 Ų147.180%0.79980%0.803SS**  trans-74.5151.1160.4-66.8170.9-9.500108.1
370D34.8Very low35.1Very low165 Ų165149.2 Ų149.288%0.88280%0.804SS**  trans-148.1154.2135.8-130.3-36.7000110.1
371S38.5Very low35.3Very low92 Ų92146.9 Ų146.964%0.64381%0.808SS**  trans-125.6126.3-163.4-63.20000113.5
372Q35.9Very low35.4Very low203 Ų203143.6 Ų143.695%0.94981%0.805SS**  trans-137.9108.1152-68.9-162.78.200110.7
373M33.3Very low35.6Very low177 Ų177145.1 Ų145.187%0.87280%0.803SS**PPolyproline II helixtrans-96.7122.6169.4-77.5-76.7-77.400109
374G31Very low35.6Very low73 Ų73145.9 Ų145.975%0.75381%0.806SS**PPolyproline II helixtrans-85.2140.2175.200000112.8
375F33.6Very low35.6Very low197 Ų197144.3 Ų144.386%0.86481%0.814SS**PPolyproline II helixtrans-75.9157173.4-61.3-94.7000111.5
376P42.1Very low35.7Very low120 Ų120138.9 Ų138.978%0.77981%0.812SS**  -121.914387.24.117000111.6
377R31Very low36.2Very low242 Ų242140.9 Ų140.991%0.91381%0.813SS**  79.4130.160.3-158.9-178.9-166.4-150.92.8112.3
378A33.9Very low36.1Very low76 Ų76147.2 Ų147.263%0.62882%0.818SS**  trans-101.4160.5-167.200000114.5
379D31.8Very low36.4Very low153 Ų153147.9 Ų147.982%0.81882%0.817SS**  trans63.7159155.3-58.2-33.5000120.5
380P44.9Very low36.2Very low113 Ų113143.9 Ų143.973%0.73481%0.813SS**  cis-114.9169.8-7.339.8-29.1000113.8
381A39.9Very low36.3Very low107 Ų107146.9 Ų146.988%0.88481%0.812SS**  trans-86118.6161.300000110.3
382S35.8Very low36.5Very low109 Ų109148.9 Ų148.976%0.76282%0.82SS**  trans-153.7156.4167-168.90000110.6
383D41.6Very low36.9Very low152 Ų152150.3 Ų150.381%0.81382%0.817SS**  trans-37.6129-163.3-67.7-53.8000118.7
384R33.7Very low37Very low244 Ų244153.5 Ų153.592%0.92182%0.819SS**  -150.1130123.5-126.9174.8-175175.63113.8
385A36.1Very low37.1Very low87 Ų87155.6 Ų155.672%0.71982%0.822SS**  trans-64.5137.4179.800000112.8L387A385-L387 PolarHBondContact O-N 3.49Å
386S34.1Very low37.5Very low123 Ų123153.7 Ų153.786%0.8682%0.821SS**  trans-71.592.2-180-60.80000112.6
387L43.2Very low37.2Very low154 Ų154153 Ų15381%0.80682%0.819SS**  trans-121.787.6169.5-71.1178.5000111.2A385A385-L387 PolarHBondContact O-N 3.49Å
388F35.1Very low37.9Very low215 Ų215147.1 Ų147.194%0.94382%0.815SS**  trans-118.6125.6166.2-89.9-78.6000111.8
389V35.3Very low38.2Very low133 Ų133152.6 Ų152.681%0.80683%0.828SS**  trans-77.1124.7-170.8176.10000111.1R391V389-R391 PolarHBondContact O-N 3.42Å; V389-R391 VanDerWaalsContact O-N 3.08Å
390A34.3Very low38.5Very low87 Ų87149.3 Ų149.372%0.71982%0.822SS**  trans-63.4107.4170.300000110.7T392A390-T392 PolarHBondContact O-N 3.2Å
391R37.9Very low38.2Very low228 Ų228151.7 Ų151.786%0.8683%0.827SS**  trans-88.879.2-174.1-166.8178.8-169132.41.8112V389V389-R391 PolarHBondContact O-N 3.42Å; V389-R391 VanDerWaalsContact O-N 3.08Å
392T41.9Very low37.9Very low133 Ų133154.2 Ų154.282%0.81683%0.825SS**  trans-64.6134.5175.652.50000111.7A390A390-T392 PolarHBondContact O-N 3.2Å
393R43.5Very low37.8Very low234 Ų234155.2 Ų155.288%0.88383%0.826SS**  trans-113.2144.4169.1-91-173.9169.1-91.15.8109.4
394R35.3Very low37.6Very low243 Ų243154.6 Ų154.692%0.91782%0.823SS**  trans-94141.3-174.9-55.8171.473.7-1416.5112
395S33.3Very low37.5Very low118 Ų118153.7 Ų153.783%0.82582%0.82SS**  trans-160.1120142.8-800000105.6
396N42.5Very low37.4Very low157 Ų157153.5 Ų153.584%0.8482%0.818SS**  91.4142.150.9-167.331.5000112
397S36.4Very low37.4Very low104 Ų104152.9 Ų152.973%0.72782%0.821SS**  trans72139.7-155.387.20000113.8
398S44.4Very low36.8Very low119 Ų119149.5 Ų149.583%0.83282%0.823SS**  cis-136.61640.8-66.40000112
399E41.8Very low36.6Very low191 Ų191143.5 Ų143.589%0.89382%0.821SS**  trans-124.6161.5177.1-170.8-174.6156.600110.8
400A38.1Very low36.4Very low84 Ų84141.1 Ų141.169%0.69482%0.824SS**  trans84.7155.5164.200000119.1
401L37.5Very low36.5Very low163 Ų163142.4 Ų142.485%0.85384%0.835SS**  trans70.2116.1-167.2-49.1-174.7000113
402L34Very low36.2Very low160 Ų160135.3 Ų135.384%0.83883%0.833SS**  cis-138.5166.16.3-72.2168.2000111.6
403V34.6Very low35.7Very low130 Ų130134.7 Ų134.779%0.78883%0.834SS**  trans-126.9139172.41720000109.5
404D37.2Very low36.1Very low139 Ų139129 Ų12974%0.74383%0.827SS**  trans60.6151.8176.5-87.1-35.9000116.3
405R31.7Very low36.5Very low225 Ų225123.4 Ų123.485%0.84982%0.822SS**  cis-148.5159.724.9-168.1169.1172.975.8-0112.5
406A34.3Very low36.5Very low84 Ų84123.9 Ų123.969%0.69482%0.82SS**  trans-89.6170.1178.100000115.3
407A33.8Very low36.7Very low110 Ų110122.4 Ų122.491%0.90982%0.819SS**  trans79.3148.6165.200000119
408G30.8Very low36.5Very low83 Ų83125.6 Ų125.686%0.85683%0.827SS**  trans110.7110.8172.300000114
409G31Very low35.9Very low88 Ų88124.3 Ų124.391%0.90782%0.824SS**  trans-98.6163.8162.800000111.1
410G30.7Very low36.4Very low83 Ų83120.3 Ų120.386%0.85681%0.814SS**  trans150.3124.8174.900000112.2
411A35.9Very low36Very low115 Ų115121.8 Ų121.895%0.9582%0.82SS**  trans-85139.8170.500000110
412G31.7Very low35.7Very low79 Ų79118 Ų11881%0.81481%0.812SS**  trans173.992.9177.800000115.9
413S32.3Very low35.7Very low120 Ų120116.3 Ų116.384%0.83981%0.813SS**  trans-91.7156143.9-620000107.1
414P51.8Low35.6Very low113 Ų113113.7 Ų113.773%0.73481%0.812SS**  cis-135.7-159.834.437.8-15.1000113.3
415P42.6Very low36.2Very low127 Ų127113 Ų11383%0.82582%0.816SS**  -143.7173.588.439-22.9000115.8
416T34.6Very low37.2Very low127 Ų127107.5 Ų107.578%0.77981%0.809SS**  trans-120.4145.1-178.7-49.30000110.1
417P44.8Very low37.1Very low127 Ų127110 Ų11083%0.82582%0.815SS**  trans-84.2174.1-170.333.3-37.7000115.9
418L32.2Very low36.8Very low171 Ų171109.8 Ų109.890%0.89581%0.806SS**  trans-108.4119.8-170.8-79.9165.8000115.1
419A32.9Very low36.9Very low91 Ų91114.6 Ų114.675%0.75280%0.803SS**  trans63.1175.2139.300000119.2
420P52Low37Very low107 Ų107115.4 Ų115.470%0.69580%0.795SS**  cis-135.9167.6-441.3-25000117.7
421S30Very low37.3Very low116 Ų116116.4 Ų116.481%0.81179%0.789SS**  trans64.9149.9150.8690000119.7
422A31.5Very low37Very low84 Ų84119.4 Ų119.469%0.69478%0.783SS**  cis-156.8172.418.200000114.6
423S33.9Very low37.2Very low124 Ų124121.6 Ų121.687%0.86778%0.781SS**  trans55.9130.215363.10000123.5
424G32.2Very low37.1Very low74 Ų74122 Ų12276%0.76377%0.773SS**  trans125.1114.1141.500000119
425P50.8Low36.2Very low125 Ų125125.2 Ų125.281%0.81277%0.772SS**  trans-93.6-176.1167.141.6-36.5000111.3
426P51.7Low35.5Very low110 Ų110126.5 Ų126.571%0.71477%0.767SS**  cis-146.9176.817.545.8-26.3000119.4
427V32.6Very low35.5Very low136 Ų136131 Ų13182%0.82477%0.769SS**  trans53.4134.5138.5164.70000119.4
428C27Very low35.4Very low106 Ų106130.2 Ų130.272%0.71676%0.764SS**  cis-155.5169.76.1-131.10000107.8
429K32Very low35.3Very low183 Ų183130 Ų13080%0.79676%0.758SS**  cis-175.3161.449.6-130165.4-171.6178.80109.5
430S33.2Very low36.5Very low106 Ų106130.6 Ų130.674%0.74176%0.755SS**  trans11.5143.9153.957.20000121.4
431S36.8Very low35.3Very low103 Ų103132.7 Ų132.772%0.7277%0.766SS**  cis-157.2162.227.554.60000115.1
432E31.1Very low35.2Very low178 Ų178132.5 Ų132.583%0.83276%0.764SS**  trans6.9147.2137.6-47175.1143.200118.7
433V35.2Very low35.2Very low125 Ų125132.7 Ų132.776%0.75877%0.766SS**  cis-149.3146.543.7173.40000113.9
434L30.4Very low34.9Very low130 Ų130136.2 Ų136.268%0.68177%0.766SS**  trans-11.4161.6149.6-52172.9000119.8
435Y32.2Very low34.8Very low179 Ų179137.1 Ų137.170%0.70276%0.761SS**  cis-156.6149.56.5-126.9-41.4000112.9
436E28.7Very low34.1Very low154 Ų154135.6 Ų135.672%0.7275%0.753SS**  trans49.7144.7140.6-98.6175.817200126.8
437R34.6Very low33.4Very low222 Ų222141.2 Ų141.284%0.83876%0.76SS**  trans-128.3137.5155.4156.7-170.2-67.5137.52.3106.7
438P42.3Very low33.5Very low110 Ų110141 Ų14171%0.71476%0.759SS**  trans-133.2162.5137.110.511.9000115.3
439Q31.1Very low33.9Very low166 Ų166141.1 Ų141.178%0.77677%0.767SS**  trans-98.1-164.1162.4-71.9-91.86.600108
440P56.8Low34Very low104 Ų104135.9 Ų135.968%0.67577%0.765SS**  -119.6-179.3-69.437.3-24.2000111.5
441T27.6Very low35.3Very low151 Ų151136.4 Ų136.493%0.92677%0.766SS**  trans-162.2177.4157.81.20000113.4
442S28.3Very low36.1Very low112 Ų112137.2 Ų137.278%0.78377%0.769SS**  trans-134173.5-16658.70000114.2
443A30.5Very low36.5Very low88 Ų88135.8 Ų135.873%0.72777%0.767SS**  trans99.1108148.200000122
444F27.1Very low37.9Very low198 Ų198135.5 Ų135.587%0.86877%0.768SS**  74.9137118.1-124.7-105.3000124.3
445S31.8Very low39.4Very low94 Ų94134.8 Ų134.866%0.65777%0.771SS**  trans69.9154.6157.2-91.10000120.2
446S35.4Very low39.5Very low92 Ų92137.1 Ų137.164%0.64378%0.779SS**  cis-169.7137.3-17.3-1080000114.1
447R37.5Very low39.7Very low229 Ų229134.3 Ų134.386%0.86478%0.782SS**  trans59.2171.7156.4-49.4-177.6170-151.9-3.4117.6
448T35.1Very low39.6Very low132 Ų132128.5 Ų128.581%0.8178%0.781SS**  cis-153.9140.46.6-33.40000112.4
449A34.6Very low39.3Very low107 Ų107134.2 Ų134.288%0.88479%0.788SS**  trans-173.5165.5152.800000110.7
450G33.7Very low40.2Very low73 Ų73132.1 Ų132.175%0.75379%0.789SS**  trans-131.8-178.9-16600000118.7
451P59.8Low39.1Very low117 Ų117131.7 Ų131.776%0.7679%0.789SS**  trans-114.1-172.2-157.845.2-36.1000114.9
452P54.6Low39.7Very low121 Ų121130.2 Ų130.279%0.78678%0.784SS**  -150.6162.288.140.2-22.1000118.4
453D39Very low39.9Very low147 Ų147130.1 Ų130.179%0.78679%0.79SS**  trans-93.5-161.8164.1-54-73.4000110.8
454P65.8Low40.1Very low120 Ų120130.3 Ų130.378%0.77979%0.792SS**  cis-133.8-145.6-6.639.3-15.1000111.1
455P61Low41.1Very low114 Ų114127.5 Ų127.574%0.7479%0.794SS**  cis-134.2-164.2-10.447.2-28.5000113.9
456R34.8Very low41.3Very low229 Ų229127.2 Ų127.286%0.86480%0.797SS**  cis-161.7146.23.1-145.4172.4-167168.15112.5
457A33.6Very low41.5Very low95 Ų95128.1 Ų128.179%0.78580%0.803SS**  trans51.7157144.900000122.6
458A31.9Very low41.5Very low99 Ų99129.3 Ų129.382%0.81881%0.808SS**  cis-168.1168.1-23.600000111.1
459R36.6Very low41.2Very low230 Ų230127 Ų12787%0.86881%0.811SS**  trans-84.4161.5172.3-64.6176.1167.9172.5-5.6112.1
460P48.9Very low41.2Very low123 Ų123126.7 Ų126.780%0.79981%0.808SS**  -130.3168.780.910.913000112.6
461S33.5Very low42Very low94 Ų94128.5 Ų128.566%0.65781%0.807SS**  cis102.7103.221.8-60.50000116.2
462S39.9Very low40.7Very low120 Ų120134.2 Ų134.284%0.83981%0.813SS**  trans47.3125.214261.90000123
463A32.5Very low39.7Very low110 Ų110136.3 Ų136.391%0.90982%0.817SS**  trans-156.1154.3148.700000112.5
464A35.1Very low40.8Very low93 Ų93134.5 Ų134.577%0.76981%0.813SS**  trans-147.1156.8165.600000108.6
465P48.7Very low40.1Very low138 Ų138134.9 Ų134.990%0.89682%0.815SS**  -150.3-162.4119.638.9-20.9000113.5
466A35.7Very low39Very low89 Ų89136 Ų13674%0.73682%0.82SS**  trans-135.1159.5-169.100000115.7
467S39Very low38.8Very low110 Ų110131.5 Ų131.577%0.76982%0.822SS**  trans50.6114.9149.864.70000123
468R37.4Very low38.7Very low254 Ų254130.2 Ų130.296%0.95882%0.818SS**  149.7138.6123.5-86.4-174.8167-163.6-3112.3
469G28.8Very low39.2Very low84 Ų84133 Ų13387%0.86682%0.819SS**  trans158.3129.9165.500000115.5
470A34Very low39.3Very low101 Ų101131.5 Ų131.584%0.83582%0.819SS**  trans-147176.7168.100000106.8
471P50.4Low38.6Very low111 Ų111133.6 Ų133.672%0.72182%0.823SS**  cis-137.7-176.54.542.2-24.5000115.1
472R32.6Very low39.3Very low236 Ų236136 Ų13689%0.89183%0.828SS**  trans168.4161.6131-90.9164.3-170-165.33.2113.3
473L35.3Very low39.1Very low165 Ų165137 Ų13786%0.86482%0.824SS**  trans-140.3-180174-67.7171.1000107.8
474P61.3Low39Very low110 Ų110143 Ų14371%0.71483%0.825SS**  -106.1-159.2-72.834.9-18.3000110.1
475P51.4Low39.2Very low127 Ų127143.4 Ų143.483%0.82582%0.822SS**  -148-17396.240.4-23.5000115.1
476V38.5Very low39Very low138 Ų138144.7 Ų144.784%0.83682%0.82SS**  trans-118.5139.1-179.5172.60000110.3
477C29.3Very low39.1Very low135 Ų135146.2 Ų146.291%0.91282%0.816SS**  trans175.6150.7154.5-100.30000108.1
478G32Very low38.9Very low68 Ų68151.8 Ų151.870%0.70182%0.82SS**  cis175.4152.1-6.700000109.8
479D43.1Very low38.5Very low156 Ų156143.1 Ų143.183%0.83481%0.81SS**  trans-73.4144.5-176.2-50.2-88.3000113.6
480F37.1Very low38.7Very low200 Ų200147.3 Ų147.388%0.87781%0.811SS**  trans-156.3118.2158.3-98.1-63.7000115.8
481L35.3Very low39.9Very low166 Ų166147.6 Ų147.687%0.86981%0.805SS**  trans62.3162.1145.5-116.471.8000123.1
482L47.3Very low39.3Very low146 Ų146153 Ų15376%0.76481%0.811SS**  trans-133169.1-171.2-97.6169.4000111.7
483D37.2Very low39.4Very low140 Ų140146.3 Ų146.375%0.74980%0.801SS**  trans67.6132.6157.5-65.2-10.3000122.1
484Y29.3Very low39.2Very low237 Ų237142.3 Ų142.393%0.92980%0.799SS**  trans-149.9158.4148.7-139.6-94.5000110.4
485S39.4Very low37.7Very low101 Ų101141.2 Ų141.271%0.70681%0.808SS**  trans-110.2176.8-149.3-52.40000117.6
486L45.6Very low36.6Very low165 Ų165139.3 Ų139.386%0.86481%0.811SS**  trans-50.5166.2173-69.598.1000114.5
487D37.3Very low36.6Very low121 Ų121137.9 Ų137.965%0.64781%0.814SS**  -176.516961.1-17729.9000114
488R33.8Very low36.7Very low226 Ų226134.9 Ų134.985%0.85381%0.805SS**  trans80.7144.7163.1-48.2-165173.6-169.3-5.8120
489G29.2Very low36.7Very low73 Ų73144.3 Ų144.375%0.75382%0.82SS**  cis178159.2-6.400000115.7
490L34.3Very low36.2Very low171 Ų171139.8 Ų139.890%0.89581%0.81SS**  trans-86179.1172.2-120.678000111.1
491P57.5Low35.8Very low108 Ų108138.8 Ų138.870%0.70181%0.808SS**  cis-139.2-151.937.840.1-15.8000112.6
492R37.8Very low35.4Very low224 Ų224138.9 Ų138.985%0.84581%0.806SS**  cis-161-173.5-1.1-139.4168.771.3-173.7-4.3106.4
493S35.9Very low34.8Very low96 Ų96139.6 Ų139.667%0.67181%0.81SS**  cis-168.4152.64.6-149.10000110.7
494G30.8Very low35.4Very low81 Ų81138.5 Ų138.584%0.83581%0.811SS**  trans121.3116.2139.600000121.2
495G30Very low35.5Very low87 Ų87132 Ų13290%0.89781%0.806SS**  trans130.2117.9146.700000118.8
496G29.1Very low35.1Very low86 Ų86131.3 Ų131.389%0.88781%0.806SS**  trans102.6137.1158.200000117.9
497A38.3Very low34.2Very low109 Ų109132 Ų13290%0.90181%0.805SS**  trans-161.9155.2176.600000113.9
498G30.5Very low34.3Very low71 Ų71132.9 Ų132.973%0.73281%0.814SS**  trans81.7137.7176.700000113.8
499W32.9Very low34.5Very low267 Ų267127.9 Ų127.9100%1.01181%0.811SS**  cis-126-179.78.2-61.373.7000108.7
500G31.6Very low34.6Very low61 Ų61127.3 Ų127.363%0.62981%0.805SS**  cis146.1146.5-0.500000110.1
501E28.6Very low35.6Very low178 Ų178124.9 Ų124.983%0.83280%0.8SS**  trans68141.5-178.2-56.5-165.4128.600116.8
502M27.7Very low34.2Very low168 Ų168127.2 Ų127.283%0.82881%0.805SS**  cis-146.2171.2-8.3-125.9-166.2-168.500114
503L34.5Very low33.8Very low161 Ų161121.6 Ų121.684%0.84380%0.801SS**  trans-93.1-172.1-175.1-84.3166.1000111.8
504P49.4Very low33.4Very low118 Ų118126 Ų12677%0.76680%0.803SS**  cis-131.8173-0.220.64.5000116.9
505A31.3Very low33.5Very low100 Ų100131 Ų13183%0.82680%0.796SS**  trans-124.3140145.600000109.1
506A31.8Very low33.6Very low86 Ų86133.4 Ų133.471%0.71179%0.788SS**  trans-169.1152.7175.300000107.7
507E26.6Very low33.7Very low181 Ų181132.3 Ų132.385%0.84678%0.777SS**  cis-155.7168.7-4.6-129.6172.8165.700109.5
508V38.8Very low33.4Very low138 Ų138134.9 Ų134.984%0.83678%0.775SS**  trans-122.1128.8169.41720000109.7
509P38.9Very low33.6Very low122 Ų122138.3 Ų138.379%0.79278%0.776SS**  trans-121.8121.4147.4128.9000111.1
510G29.9Very low33.5Very low60 Ų60130.8 Ų130.862%0.61976%0.759SS**  trans-86.4-160.8147.300000109.8
511P55.5Low33.6Very low121 Ų121136 Ų13679%0.78677%0.77SS**  cis-120-172.8-6.341.7-29.3000111.4
512L28.5Very low34Very low156 Ų156134.7 Ų134.782%0.81777%0.767SS**  -179.5136.5128.1-99.5166.1000111.2
513S29.3Very low34.6Very low107 Ų107133 Ų13375%0.74877%0.769SS**  trans40.3151.1145-69.30000123.3
514R27.6Very low34.5Very low189 Ų189128.2 Ų128.271%0.71376%0.759SS**  cis176.7146.6-21.6-159.3-162.1-180-174.43105.8
515R31.9Very low34.4Very low184 Ų184129.1 Ų129.169%0.69477%0.765SS**  trans64.2159.3167.3-68.5-172.4160.3164-5.2115.5
516D33.5Very low35.2Very low138 Ų138129.9 Ų129.974%0.73876%0.761SS**  cis-140.5158.3-32.3-83.7-35.1000103.4
517G29.9Very low36.2Very low63 Ų63130.7 Ų130.765%0.64976%0.759SS**  cis102.776.927.400000110.8
518L33.3Very low36.5Very low163 Ų163128.8 Ų128.885%0.85376%0.76SS**  trans170.9129.9138.8-91163.6000114.8
519L33.6Very low36.2Very low144 Ų144132.5 Ų132.575%0.75476%0.76SS**  trans25.3119.7146.1-61.5173.7000122.8
520T31.4Very low35.8Very low109 Ų109131 Ų13167%0.66976%0.758SS**  48.5120.7112.5-44.60000120.8
521M32.7Very low35.8Very low171 Ų171133 Ų13384%0.84277%0.768SS**  -171.7154118.1-95.1-52.4-84.800111.4
522L37Very low34.6Very low150 Ų150134.6 Ų134.679%0.78577%0.771SS**  trans-86.8145.1175.6-71.480.9000111.6
523P40.3Very low34.8Very low131 Ų131133.1 Ų133.185%0.85177%0.773SS**  trans-84.1113.116232.5-29.6000111
524G32.9Very low34.8Very low62 Ų62135.7 Ų135.764%0.63978%0.779SS**  trans-89.7160.6164.600000112.1
525P47Very low35Very low137 Ų137132.1 Ų132.189%0.8978%0.783SS**  trans-87.4136.3-178.233.7-33.8000113.4
526P49.9Very low36Very low115 Ų115128.8 Ų128.875%0.74779%0.785SS**  trans-128.2168.2167.341.4-29.4000113.2
527P52.6Low36Very low104 Ų104129.6 Ų129.668%0.67579%0.788SS**  cis-132.5168.9-47.538.2-24.4000112.2Y529P527-Y529 HydrophobicContact CG-CE2 4.42Å
528V31.4Very low36.2Very low141 Ų141133.6 Ų133.686%0.85579%0.794SS**  trans-80.5139.4164.3177.30000109.2
529Y33.9Very low36.2Very low215 Ų215136.7 Ų136.784%0.84379%0.794SS**  trans-109.2135163-96.9-82.8000110.4P527P527-Y529 HydrophobicContact CG-CE2 4.42Å
530A30.3Very low36Very low92 Ų92135.5 Ų135.576%0.7679%0.793SS**  trans-123.2150.5165.800000108.6
531A30Very low36Very low100 Ų100139.3 Ų139.383%0.82680%0.8SS**  trans-152.9126.2169.600000108.9
532D30.6Very low36.2Very low156 Ų156138.1 Ų138.183%0.83480%0.798SS**  trans-84.6151.5-172.2-52.9-86.5000113.1
533S31.8Very low36.8Very low124 Ų124136.8 Ų136.887%0.86780%0.798SS**  trans-157.2111.8162.6-69.50000113.1
534N29.4Very low36.5Very low162 Ų162139.5 Ų139.587%0.86680%0.799SS**  trans-20.5134173.2-61-29000121.2
535S31.9Very low36.6Very low114 Ų114143.6 Ų143.680%0.79781%0.812SS**  trans-33.4177.9146.4-44.90000117.5
536P53.5Low35.9Very low114 Ų114148.6 Ų148.674%0.7481%0.813SS**  cis-132.9-167-46.237.5-20.6000110.9
537L33Very low35Very low155 Ų155148.1 Ų148.181%0.81282%0.818SS**  trans-178127.9137.4-99.8162.1000115.1
538L33Very low34Very low146 Ų146149.1 Ų149.176%0.76482%0.823SS**  trans27.8135.3152.9-65.9171.8000124.7
539R33.2Very low33.9Very low229 Ų229153.3 Ų153.386%0.86482%0.823SS**  trans12.7149.3135.3-67.2-177.2166.6164.5-2.5118.6
540T29.6Very low33.8Very low119 Ų119149.3 Ų149.373%0.7382%0.821SS**  -176.4121.973.2-62.80000114.5
541K32Very low34.4Very low188 Ų188153.9 Ų153.982%0.81782%0.824SS**  trans67.5118.2137.8-172.2173178.7-178.40121.8
542D36.8Very low35.1Very low147 Ų147155.1 Ų155.179%0.78682%0.823SS**  trans-64.4159.6154.8-51.6-86.3000112.6
543P49.6Very low35.3Very low122 Ų122153.8 Ų153.879%0.79283%0.825SS**  -143.8168.2103.538.5-25.3000115.9
544H33.4Very low35.3Very low187 Ų187151.4 Ų151.487%0.86682%0.82SS**  trans-51.5147.5178-56-44000115.8
545T34.9Very low35.7Very low149 Ų149151.8 Ų151.891%0.91482%0.821SS**  trans-135150.5133.148.40000111.3
546R33.3Very low36.7Very low242 Ų242151.9 Ų151.991%0.91382%0.819SS**  trans-115.7118-174.7171.5-165-172.8-174.55.5108.7
547A31.4Very low36.3Very low104 Ų104151.8 Ų151.886%0.8682%0.818SS**  trans-139.5142.9172.500000111.2
548T30.9Very low36.3Very low126 Ų126152.4 Ų152.477%0.77382%0.817SS**  trans-120.6149.7-173.5480000112.3
549R28.7Very low36.2Very low229 Ų229151.5 Ų151.586%0.86482%0.817SS**  trans63.3110145.8179.7-158.4179.7-166.30.7117.2
550T33.2Very low36.2Very low130 Ų130145.1 Ų145.180%0.79881%0.814SS**  -165.5145.9113.222.90000111.9
551K41.4Very low36.3Very low189 Ų189149.3 Ų149.382%0.82283%0.825SS**  trans-96.3156.9149.8-66.3-172.9178.4-173.20108
552P45.3Very low36.2Very low125 Ų125143.9 Ų143.981%0.81282%0.822SS**  -132.2173.1118.837.1-29.2000112.9
553C35.3Very low36.4Very low129 Ų129142.9 Ų142.987%0.87282%0.824SS**  trans-104.5154.4173.1-59.70000110.4
554G30.8Very low35.4Very low73 Ų73145.8 Ų145.875%0.75383%0.827SS**  trans-166.6144.7172.300000112.5
555L37.8Very low35.2Very low170 Ų170143.1 Ų143.189%0.8982%0.823SS**  trans-156.5167.5177.5-69.4175.9000107.5
556P53.5Low35.1Very low116 Ų116145 Ų14575%0.75382%0.821SS**  -110.6-160.1-51.837.5-21.6000108.9
557P46Very low35.8Very low113 Ų113138.7 Ų138.773%0.73481%0.812SS**  -153.5163.377.938.9-17.7000118.3
558E32.7Very low35.9Very low168 Ų168141.3 Ų141.379%0.78581%0.812SS**  trans56.4128142.1-64-62.383.700126
559V29.5Very low36.5Very low126 Ų126140.2 Ų140.276%0.76481%0.806SS**  trans65.5116.3134.4178.80000122.2
560A34Very low36.8Very low96 Ų96136.7 Ų136.779%0.79380%0.804SS**  -163.4149.1127.600000110.6
561E31.2Very low36.8Very low206 Ų206137.9 Ų137.996%0.96381%0.805SS**  trans-99.2158.4173.4-66.5-164.714400112.6
562G30.3Very low36.4Very low74 Ų74140.1 Ų140.176%0.76381%0.808SS**  trans172.1118.4172.400000112.9
563P40.5Very low36Very low126 Ų126141 Ų14182%0.81880%0.803SS**  trans-100-166.9-174.740.1-37.2000114.1
564E29.3Very low36.3Very low184 Ų184139.7 Ų139.786%0.8679%0.793SS**  trans86.6142.2175.3-62.1-98.989.200116.6
565V29Very low37Very low130 Ų130141.6 Ų141.679%0.78879%0.792SS**  trans-144.3125.2-165.1174.20000110.5
566H33.3Very low37.1Very low188 Ų188139.4 Ų139.487%0.8779%0.788SS**  trans-130.9152.2160.2-89.1-53.2000111.5
567P47.7Very low36.2Very low111 Ų111140.7 Ų140.772%0.72179%0.794SS**  trans-101.3154.3-152.137.6-36000115.2
568N33.4Very low35.8Very low159 Ų159146.8 Ų146.885%0.8580%0.802SS**  trans-151155.6145.1-122.2-13.7000109.9
569P44.1Very low36.5Very low102 Ų102146.4 Ų146.466%0.66280%0.804SS**  trans-92.2-169-169.337.3-35.6000113.7
570L34.2Very low37Very low156 Ų156144.7 Ų144.782%0.81780%0.795SS**  trans85.890.3173.3-49.2177.7000117
571L33.8Very low37.5Very low154 Ų154144.8 Ų144.881%0.80679%0.79SS**  -172.3136.7104.6-121.975.5000111.1
572W32.1Very low38.4Very low237 Ų237138.8 Ų138.890%0.89878%0.776SS**  trans-97110176.2-172-67000110.4
573M37Very low39.3Very low144 Ų144137.9 Ų137.971%0.70977%0.767SS**  trans-116135.2174.3-76.5-73.7110.100110.9
574P41.5Very low39.8Very low100 Ų100138 Ų13865%0.64976%0.756SS**PPolyproline II helixtrans-77.4145.6177.832-34.3000111.8
575P45.5Very low41.1Very low114 Ų114138.9 Ų138.974%0.7475%0.752SS**PPolyproline II helixtrans-74.5150.8-179.630.7-35.4000112.5
576P40.2Very low42.3Very low124 Ų124135.7 Ų135.781%0.80574%0.735SS**PPolyproline II helixtrans-68.7140.6178.528.4-34.8000112.2R578P576-R578 PolarHBondContact O-N 2.84Å
577T34.2Very low44.2Very low142 Ų142128.4 Ų128.487%0.87171%0.711SS**PPolyproline II helixtrans-64.6116.9-179.9500000111.9
578R39.3Very low45.7Very low241 Ų241130.4 Ų130.491%0.90971%0.71SS**PPolyproline II helixtrans-69.1144.6168.8-63.9-174.3-173.2171.93110.5P576P576-R578 PolarHBondContact O-N 2.84Å
579I46.6Very low48Very low161 Ų161129.8 Ų129.883%0.82670%0.7SS**PPolyproline II helixtrans-73.2130.9173.9-60.2165.5000108.5
580P40Very low49.7Very low89 Ų89128.7 Ų128.758%0.57869%0.688SS**PPolyproline II helixtrans-68.4144.1177.926.5-33.4000112.1E584P580-E584 WeakPolarHBondContact CB-OE2 3.4Å
581S44.3Very low52.3Low99 Ų99127.1 Ų127.169%0.69268%0.68SS**PPolyproline II helixtrans-78.9167.2-179.669.90000112.2G583S581-G583 PolarHBondContact O-N 2.94Å
582A49.2Very low55Low79 Ų79122.8 Ų122.865%0.65367%0.667SS**THydrogen-bonded Turntrans-64.8-12-165.800000116.2
583G50.6Low57.8Low56 Ų56116.9 Ų116.958%0.57765%0.652SS**THydrogen-bonded Turntrans-66.7-38.4-176.200000114.9S581 R585 S586S581-G583 PolarHBondContact O-N 2.94Å; G583-R585 PolarHBondContact O-N 3.25Å; G583-S586 WeakPolarHBondContact O-CB 3.46Å; G583-S586 PolarHBondContact O-N 2.93Å
584E51.1Low60.3Low127 Ų127115.1 Ų115.159%0.59364%0.642SS**Hα-helixtrans-66.5-14.7-175.1-62.8-174.4145.600113.8P580 S586 G587 H588P580-E584 WeakPolarHBondContact CB-OE2 3.4Å; E584-S586 PolarHBondContact O-N 3.02Å; E584-G587 PolarHBondContact O-N 2.77Å; E584-H588 PolarHBondContact O-ND1 3.31Å
585R55.9Low62.8Low203 Ų203112.1 Ų112.177%0.76663%0.63SS**Hα-helixtrans-65.3-15.9173.1-62.2-177.4175.3-166.5-1.7113.2G583G583-R585 PolarHBondContact O-N 3.25Å
586S54.4Low65Low63 Ų63111.7 Ų111.744%0.44162%0.621SS.*Hα-helixtrans-82.9-44.3175.4-166.70000112.4G583 E584 H588 K589 N590G583-S586 WeakPolarHBondContact O-CB 3.46Å; G583-S586 PolarHBondContact O-N 2.93Å; E584-S586 PolarHBondContact O-N 3.02Å; S586-H588 VanDerWaalsContact C-N 3.33Å; S586-H588 PolarHBondContact O-N 3.47Å; S586-K589 WeakPolarHBondContact O-CA 3.24Å; S586-K589 WeakPolarHBondContact O-CB 3.36Å; S586-K589 PolarHBondContact O-N 3.03Å; S586-N590 PolarHBondContact O-N 3.04Å; S586-N590 VanDerWaalsContact O-N 3.09Å
587G73.1Confident67.5Low35 Ų35114.1 Ų114.136%0.36161%0.614SS.*Hα-helixtrans-56.9-41.6-17300000114.1E584 K589 N590 L591E584-G587 PolarHBondContact O-N 2.77Å; G587-K589 VanDerWaalsContact C-N 3.26Å; G587-K589 PolarHBondContact O-N 2.89Å; G587-N590 PolarHBondContact O-N 3.33Å; G587-L591 PolarHBondContact O-N 3.11Å
588H78.7Confident70.1Confident153 Ų153110.9 Ų110.971%0.70859%0.591SS**Hα-helixtrans-62.3-29.9176.1-70.182.8000113.6E584 S586 A592E584-H588 PolarHBondContact O-ND1 3.31Å; S586-H588 VanDerWaalsContact C-N 3.33Å; S586-H588 PolarHBondContact O-N 3.47Å; H588-A592 WeakPolarHBondContact O-CB 3.4Å; H588-A592 PolarHBondContact O-N 3.08Å
589K81.9Confident72.6Confident147 Ų147106.4 Ų106.464%0.63958%0.575SS**Hα-helixtrans-78.7-39.5175.7-62.8-174.7178.8-174.50111.3S586 G587 A592 L593S586-K589 WeakPolarHBondContact O-CA 3.24Å; S586-K589 WeakPolarHBondContact O-CB 3.36Å; S586-K589 PolarHBondContact O-N 3.03Å; G587-K589 VanDerWaalsContact C-N 3.26Å; G587-K589 PolarHBondContact O-N 2.89Å; K589-A592 PolarHBondContact O-N 3.18Å; K589-L593 WeakPolarHBondContact O-CG 3.5Å; K589-L593 PolarHBondContact O-N 3.37Å
590N80.2Confident74.7Confident78 Ų78105.6 Ų105.642%0.41756%0.562SS.*Hα-helixtrans-63.7-48.4178-62.1-16.4000110.8S586 G587 A592 L593 E594S586-N590 PolarHBondContact O-N 3.04Å; S586-N590 VanDerWaalsContact O-N 3.09Å; G587-N590 PolarHBondContact O-N 3.33Å; N590-A592 VanDerWaalsContact C-N 3.28Å; N590-A592 PolarHBondContact O-N 3.21Å; N590-L593 PolarHBondContact O-N 3.47Å; N590-L593 VanDerWaalsContact O-N 3.09Å; N590-E594 WeakPolarHBondContact O-CG 3.41Å; N590-E594 PolarHBondContact O-N 2.88Å
591L89.5Confident76.9Confident123 Ų123105.6 Ų105.664%0.64456%0.556SS**Hα-helixtrans-57.6-38174-108.171.7000113G587 G595G587-L591 PolarHBondContact O-N 3.11Å; L591-G595 PolarHBondContact O-N 3.06Å
592A88.9Confident78.6Confident64 Ų64108.9 Ų108.953%0.52955%0.553SS.*Hα-helixtrans-68.7-37177.200000112.4H588 K589 N590 L596H588-A592 WeakPolarHBondContact O-CB 3.4Å; H588-A592 PolarHBondContact O-N 3.08Å; K589-A592 PolarHBondContact O-N 3.18Å; N590-A592 VanDerWaalsContact C-N 3.28Å; N590-A592 PolarHBondContact O-N 3.21Å; A592-L596 VanDerWaalsContact O-CB 3.31Å; A592-L596 WeakPolarHBondContact O-CB 3.48Å; A592-L596 PolarHBondContact O-N 2.72Å
593L92.8Very high80.2Confident112 Ų112109.9 Ų109.959%0.58655%0.548SS*.Hα-helixtrans-72.8-36.5175.7-69.7170000112.1K589 N590 L596 R597K589-L593 WeakPolarHBondContact O-CG 3.5Å; K589-L593 PolarHBondContact O-N 3.37Å; N590-L593 PolarHBondContact O-N 3.47Å; N590-L593 VanDerWaalsContact O-N 3.09Å; L593-L596 PolarHBondContact O-N 2.97Å; L593-R597 VanDerWaalsContact O-CB 3.27Å; L593-R597 WeakPolarHBondContact O-CB 3.38Å; L593-R597 PolarHBondContact O-N 2.87Å
594E87.9Confident81.3Confident107 Ų107109 Ų10950%0.553%0.533SS..Hα-helixtrans-64.4-49.2171.9-72.1170158.900110.9N590 L596 R597 D598N590-E594 WeakPolarHBondContact O-CG 3.41Å; N590-E594 PolarHBondContact O-N 2.88Å; E594-L596 VanDerWaalsContact C-N 3.29Å; E594-L596 PolarHBondContact O-N 2.89Å; E594-R597 WeakPolarHBondContact O-CB 3.41Å; E594-R597 PolarHBondContact O-N 3.48Å; E594-R597 VanDerWaalsContact O-N 3.17Å; E594-D598 WeakPolarHBondContact O-CB 3.49Å; E594-D598 PolarHBondContact O-N 2.93Å
595G94.1Very high81.9Confident38 Ų38106.2 Ų106.239%0.39254%0.539SS..Hα-helixtrans-59-37.5175.300000113.5L591 W599L591-G595 PolarHBondContact O-N 3.06Å; G595-W599 VanDerWaalsContact O-CB 3.29Å; G595-W599 WeakPolarHBondContact O-CB 3.26Å; G595-W599 PolarHBondContact O-N 3.38Å
596L92.8Very high82Confident105 Ų105103.4 Ų103.455%0.5554%0.538SS..Hα-helixtrans-70.9-40.7175.1-176.663.1000112.4A592 L593 E594 W599 Y600A592-L596 VanDerWaalsContact O-CB 3.31Å; A592-L596 WeakPolarHBondContact O-CB 3.48Å; A592-L596 PolarHBondContact O-N 2.72Å; L593-L596 PolarHBondContact O-N 2.97Å; E594-L596 VanDerWaalsContact C-N 3.29Å; E594-L596 PolarHBondContact O-N 2.89Å; L596-W599 PolarHBondContact O-N 3.45Å; L596-Y600 WeakPolarHBondContact O-CB 3.44Å; L596-Y600 PolarHBondContact O-N 3.47Å
597R91.9Very high81.7Confident174 Ų174104.4 Ų104.466%0.65755%0.55SS*.Hα-helixtrans-60.2-48174.3179.8-172.8-177.3-167.20.6110.8L593 E594 Y600 I601L593-R597 VanDerWaalsContact O-CB 3.27Å; L593-R597 WeakPolarHBondContact O-CB 3.38Å; L593-R597 PolarHBondContact O-N 2.87Å; E594-R597 WeakPolarHBondContact O-CB 3.41Å; E594-R597 PolarHBondContact O-N 3.48Å; E594-R597 VanDerWaalsContact O-N 3.17Å; R597-Y600 PolarHBondContact O-N 3.12Å; R597-I601 HydrophobicContact CG-CD1 3.96Å; R597-I601 WeakPolarHBondContact O-CG1 3.44Å; R597-I601 PolarHBondContact O-N 3.19Å
598D89.3Confident80.6Confident74 Ų74107.8 Ų107.840%0.39658%0.575SS.*Hα-helixtrans-64-40.1178.1-89.122.3000112.7E594 Y600 I601 R602E594-D598 WeakPolarHBondContact O-CB 3.49Å; E594-D598 PolarHBondContact O-N 2.93Å; D598-Y600 VanDerWaalsContact C-N 3.33Å; D598-I601 PolarHBondContact O-N 2.94Å; D598-R602 WeakPolarHBondContact O-CG 3.27Å; D598-R602 PolarHBondContact O-N 2.98Å; D598-R602 PolarHBondContact O-NE 3.14Å; D598-R602 IonicContact OD2-NH1 2.67Å
599W90.5Very high79Confident148 Ų148103.1 Ų103.156%0.56157%0.567SS**Hα-helixtrans-60.9-42.8172.3-178.597000111.2G595 L596 R602 N603G595-W599 VanDerWaalsContact O-CB 3.29Å; G595-W599 WeakPolarHBondContact O-CB 3.26Å; G595-W599 PolarHBondContact O-N 3.38Å; L596-W599 PolarHBondContact O-N 3.45Å; W599-R602 PolarHBondContact O-N 3.07Å; W599-N603 WeakPolarHBondContact CZ2-ND2 3.22Å; W599-N603 PolarHBondContact NE1-ND2 3.1Å; W599-N603 WeakPolarHBondContact O-CB 3.43Å; W599-N603 PolarHBondContact O-N 3.35Å; W599-N603 VanDerWaalsContact O-N 3.1Å; W599-N603 PolarHBondContact O-ND2 3.25Å
600Y92.2Very high77.4Confident144 Ų144102.7 Ų102.757%0.56558%0.58SS**Hα-helixtrans-67.5-41.2176.4-169.1-93.1000112.3L596 R597 D598 R602 N603 S604L596-Y600 WeakPolarHBondContact O-CB 3.44Å; L596-Y600 PolarHBondContact O-N 3.47Å; R597-Y600 PolarHBondContact O-N 3.12Å; D598-Y600 VanDerWaalsContact C-N 3.33Å; Y600-R602 VanDerWaalsContact C-N 3.34Å; Y600-R602 PolarHBondContact O-N 3.13Å; Y600-N603 PolarHBondContact O-N 2.89Å; Y600-S604 WeakPolarHBondContact O-CB 3.49Å; Y600-S604 PolarHBondContact O-N 3.41Å; Y600-S604 PolarHBondContact O-OG 3.21Å
601I84.9Confident75.5Confident89 Ų89107.2 Ų107.246%0.45660%0.599SS.*Hα-helixtrans-59.6-44.1175.4-70.7165.6000110.8R597 D598 N603R597-I601 HydrophobicContact CG-CD1 3.96Å; R597-I601 WeakPolarHBondContact O-CG1 3.44Å; R597-I601 PolarHBondContact O-N 3.19Å; D598-I601 PolarHBondContact O-N 2.94Å; I601-N603 VanDerWaalsContact C-N 3.35Å; I601-N603 PolarHBondContact O-N 2.96Å
602R80.8Confident73Confident167 Ų167112.7 Ų112.763%0.6361%0.611SS**Hα-helixtrans-67.5-30.4178-72.7-177.2-71.7-100.61.5113.8D598 W599 Y600D598-R602 WeakPolarHBondContact O-CG 3.27Å; D598-R602 PolarHBondContact O-N 2.98Å; D598-R602 PolarHBondContact O-NE 3.14Å; D598-R602 IonicContact OD2-NH1 2.67Å; W599-R602 PolarHBondContact O-N 3.07Å; Y600-R602 VanDerWaalsContact C-N 3.34Å; Y600-R602 PolarHBondContact O-N 3.13Å
603N82.7Confident70.4Confident100 Ų100120.3 Ų120.354%0.53563%0.626SS.*Hα-helixtrans-105.2-17.7-171.5-66.6-16.9000115.3W599 Y600 I601 G605W599-N603 WeakPolarHBondContact CZ2-ND2 3.22Å; W599-N603 PolarHBondContact NE1-ND2 3.1Å; W599-N603 WeakPolarHBondContact O-CB 3.43Å; W599-N603 PolarHBondContact O-N 3.35Å; W599-N603 VanDerWaalsContact O-N 3.1Å; W599-N603 PolarHBondContact O-ND2 3.25Å; Y600-N603 PolarHBondContact O-N 2.89Å; I601-N603 VanDerWaalsContact C-N 3.35Å; I601-N603 PolarHBondContact O-N 2.96Å; N603-G605 VanDerWaalsContact C-N 3.25Å; N603-G605 PolarHBondContact O-N 3.48Å
604S74Confident67.8Low37 Ų37121.1 Ų121.126%0.25964%0.638SS.*SBendtrans-77.50.6-17456.90000115.4Y600 L606Y600-S604 WeakPolarHBondContact O-CB 3.49Å; Y600-S604 PolarHBondContact O-N 3.41Å; Y600-S604 PolarHBondContact O-OG 3.21Å; S604-L606 PolarHBondContact O-N 3.42Å
605G64.3Low65.4Low70 Ų70122.3 Ų122.372%0.72265%0.652SS**SBendtrans70.7-8174.300000116.1N603 A607N603-G605 VanDerWaalsContact C-N 3.25Å; N603-G605 PolarHBondContact O-N 3.48Å; G605-A607 PolarHBondContact O-N 3.16Å
606L56.6Low62.7Low144 Ų144127.9 Ų127.975%0.75467%0.672SS**  trans-71.7-5.7-178.5-81.1143.1000114.7S604 A608S604-L606 PolarHBondContact O-N 3.42Å; L606-A608 PolarHBondContact O-N 3.11Å
607A49.2Very low60.4Low83 Ų83129 Ų12969%0.68669%0.685SS**  trans-77.167.3174.800000111.9G605 G609G605-A607 PolarHBondContact O-N 3.16Å; A607-G609 PolarHBondContact O-N 3.21Å
608A50.4Low57.6Low107 Ų107126.3 Ų126.388%0.88469%0.693SS**  trans-75.187.8173.900000111.1L606L606-A608 PolarHBondContact O-N 3.11Å
609G44.2Very low55.3Low54 Ų54129.7 Ų129.756%0.55772%0.716SS**SBendtrans-160.6142.2174.400000110.7A607 Q611A607-G609 PolarHBondContact O-N 3.21Å; G609-Q611 PolarHBondContact O-N 3.14Å
610P48.4Very low52.6Low138 Ų138125.4 Ų125.490%0.89672%0.718SS**  trans-78.596.8-165.930.7-35.3000112.4
611Q39.3Very low50.2Low174 Ų174124.9 Ų124.981%0.81373%0.732SS**  trans-122.1140158.6-94-65.27.100112.1G609 R613G609-Q611 PolarHBondContact O-N 3.14Å; Q611-R613 PolarHBondContact O-N 2.77Å
612R38.8Very low48.7Very low238 Ų238126.1 Ų126.190%0.89875%0.746SS**PPolyproline II helixtrans-75.8123.5-173.9-68.1175.7174.3165.5-2.8110
613R33.5Very low46.4Very low224 Ų224127 Ų12785%0.84576%0.757SS**PPolyproline II helixtrans-72.3140.2157.7-75.3-176.2175.6168.3-0.7109.1Q611 V615Q611-R613 PolarHBondContact O-N 2.77Å; R613-V615 PolarHBondContact O-N 3.41Å
614P39.1Very low44.5Very low129 Ų129127.4 Ų127.484%0.83877%0.765SS**PPolyproline II helixtrans-60.4133.9163.3-19.132.1000109.7
615V35.8Very low43.1Very low132 Ų132131.4 Ų131.480%0.879%0.79SS**  trans-107.1130175.7174.40000107.8R613R613-V615 PolarHBondContact O-N 3.41Å
616L38.3Very low41.6Very low155 Ų155138 Ų13881%0.81280%0.8SS**  trans-65.9135.4171.7-83.579.3000109.5S618L616-S618 PolarHBondContact O-N 3.38Å; L616-S618 VanDerWaalsContact O-N 3.14Å
617P43.9Very low40.7Very low127 Ų127138.9 Ų138.983%0.82580%0.804SS**  trans-70.6109.7175.928.6-33.2000110.4
618S33.3Very low39.8Very low118 Ų118144.2 Ų144.283%0.82581%0.814SS**  trans-75.7134.1165.9-173.50000109.7L616L616-S618 PolarHBondContact O-N 3.38Å; L616-S618 VanDerWaalsContact O-N 3.14Å
619V41.9Very low39.1Very low145 Ų145143.3 Ų143.388%0.87981%0.807SS**  trans-70.5141.1175.2177.80000110.3
620G33.8Very low38.5Very low59 Ų59150.9 Ų150.961%0.60882%0.818SS**  trans-156.6153.6172.600000111.7
621P40.4Very low37.6Very low132 Ų132149.8 Ų149.886%0.85781%0.813SS**  trans-85.9157.8-161.1-1230.9000115.3
622P53.8Low37.3Very low115 Ų115150 Ų15075%0.74781%0.807SS**  trans-96.4150.5-177.237.3-34.5000114.2
623H33Very low36.9Very low187 Ų187147.3 Ų147.387%0.86681%0.805SS**  trans-154.6163.1162.7-99.8-46.8000111.1
624P41.7Very low37Very low107 Ų107143.4 Ų143.470%0.69581%0.806SS**  trans-97.4171.4-130.2-728.2000116.8
625P45.3Very low36.6Very low121 Ų121140.8 Ų140.879%0.78680%0.802SS**  trans-86158.7-17635.8-35.9000113.7
626F32.8Very low36.4Very low210 Ų210143.4 Ų143.492%0.92181%0.806SS**  trans-126.3136.3160.6-93-88000110.7
627L37.6Very low36.1Very low162 Ų162140 Ų14085%0.84880%0.8SS**  trans-89.8143.6170.8-64.6169.1000109.5
628H31.2Very low35.7Very low195 Ų195141.2 Ų141.290%0.90380%0.799SS**  trans-157.6133.8133.6-121.5-75.5000111.6
629A35.1Very low35.6Very low87 Ų87146.5 Ų146.572%0.71980%0.802SS**  trans-97.1148.4172.100000110.8
630R30.7Very low34.9Very low213 Ų213143.5 Ų143.580%0.80480%0.8SS**  trans-159.6130.9147.8-117.4173.9-176.1-160.9-1.1111.1Y632R630-Y632 HydrophobicContact CG-CE2 4.38Å
631C29.8Very low34.9Very low116 Ų116145.4 Ų145.478%0.78481%0.81SS**  trans-97.3146.3170.2-49.90000108.9
632Y33Very low35.3Very low178 Ų178145.2 Ų145.270%0.69881%0.809SS**  trans-147.6171.6157.5-82.2-62.8000110.1R630R630-Y632 HydrophobicContact CG-CE2 4.38Å
633E31.6Very low34.2Very low182 Ų182145.6 Ų145.685%0.8582%0.815SS**  trans-105.7-177.5-142-68.3165.898.100116.5
634V34.2Very low34.3Very low142 Ų142145.2 Ų145.286%0.86181%0.813SS**  trans-73.2144.4-178.2173.60000112.4
635G30.3Very low34Very low74 Ų74144.4 Ų144.476%0.76382%0.816SS**  trans-152.9149.6164.700000111.3
636Q32.7Very low34.1Very low187 Ų187144.5 Ų144.587%0.87482%0.816SS**  trans-124.2160.6-177.4-70.8-173.1-8.600112.8
637A32.6Very low34.3Very low84 Ų84141 Ų14169%0.69481%0.806SS**  trans93.9113.3145.700000121.8
638L34.8Very low34.8Very low151 Ų151139.1 Ų139.179%0.79180%0.804SS**  84124.8128.2-65.1170.2000123.5
639Y31.3Very low35.1Very low230 Ų230137.6 Ų137.690%0.90280%0.797SS**  trans59.3128.9151.8-77.4-72.4000122.9
640G27.4Very low35.1Very low81 Ų81138.4 Ų138.484%0.83580%0.797SS**  trans158.5110.7155.500000117.1
641A33Very low35.5Very low99 Ų99139 Ų13982%0.81880%0.8SS**  trans-160.4144.1163.700000108.2
642P49.7Very low35.8Very low129 Ų129138.2 Ų138.284%0.83880%0.795SS**  -156.4173.877.241.8-22.4000117.5
643S31Very low35.7Very low123 Ų123138.9 Ų138.986%0.8680%0.802SS**  trans-166167.8146.2-164.60000110.5
644Q35.5Very low36Very low178 Ų178136.7 Ų136.783%0.83280%0.802SS**  trans-138.7157-163.1-59.7-173.91.100117.3
645A34.2Very low36.1Very low91 Ų91133.7 Ų133.775%0.75279%0.792SS**  trans70.4163.9141.600000119
646P47.3Very low36.5Very low123 Ų123135.3 Ų135.380%0.79979%0.788SS**  cis-125.5172.76.141-25.8000117.3
647L37.3Very low36.9Very low135 Ų135132.7 Ų132.771%0.70779%0.788SS**  trans-103.8171.8173.9-70.7169.2000111.8
648P48.1Very low37.1Very low124 Ų124135.1 Ų135.181%0.80579%0.794SS**  -126.6170.8109.836.2-31.1000114.8
649H37.5Very low37.1Very low163 Ų163133.2 Ų133.276%0.75579%0.793SS**  trans-104.5171.7-166.9-49.575.5000110.8
650S36Very low37.8Very low103 Ų103125.6 Ų125.672%0.7279%0.785SS**  cis-160.5-163.923.353.50000108.1
651R38.1Very low38.2Very low226 Ų226132.7 Ų132.785%0.85379%0.786SS**  cis-163.1170.610.2-149.3163.1-179.3175.1-0.2109.6
652S35.9Very low38.3Very low99 Ų99137.6 Ų137.669%0.69279%0.785SS**  -166.1114.7-8953.30000111.1
653F32.5Very low37.8Very low192 Ų192141.5 Ų141.584%0.84279%0.785SS**  trans-147.1108.9160.6-163.3-94.9000112.9
654T37.2Very low38.3Very low137 Ų137139 Ų13984%0.8477%0.771SS**  trans-147.1124.817145.40000108.3
655A35.4Very low38.5Very low79 Ų79136.8 Ų136.865%0.65377%0.765SS**PPolyproline II helixtrans-87.3152.317300000110.8
656P40Very low39Very low107 Ų107141.3 Ų141.370%0.69577%0.768SS**PPolyproline II helixtrans-75.9151-176.831.1-35.7000112.7V658P656-V658 PolarHBondContact O-N 3.07Å
657P40.1Very low38.9Very low132 Ų132142.2 Ų142.286%0.85777%0.765SS**PPolyproline II helixtrans-70.4121170.329.7-33000110.1
658V36.2Very low39.1Very low136 Ų136146 Ų14682%0.82477%0.772SS**PPolyproline II helixtrans-82.2134.8175.9-179.70000109.6P656P656-V658 PolarHBondContact O-N 3.07Å
659S36.6Very low39Very low110 Ų110144.5 Ų144.577%0.76976%0.762SS**PPolyproline II helixtrans-65158.1-179.8-164.60000112.7
660G45.3Very low39.4Very low71 Ų71141.5 Ų141.573%0.73276%0.757SS**PPolyproline II helixtrans-55.3138.2-167.900000115
661R34.9Very low39.8Very low230 Ų230144 Ų14487%0.86876%0.757SS**  trans-126140.9167.4-76.3-73.2178.9156.3-3.2108.8
662Y36.1Very low40Very low201 Ų201139.4 Ų139.479%0.78875%0.749SS**  trans-69143.3-178.1-76.4-107.2000110.7A664Y662-A664 VanDerWaalsContact C-N 3.33Å
663Y39.2Very low40.2Very low212 Ų212138.5 Ų138.583%0.83174%0.743SS**SBendtrans-90.47.1177.3-116-84.9000113.6
664A41Very low40.6Very low69 Ų69132.1 Ų132.157%0.5773%0.726SS**  trans-76.3-32.3-17400000113.7Y662 F666Y662-A664 VanDerWaalsContact C-N 3.33Å; A664-F666 PolarHBondContact O-N 2.88Å; A664-F666 VanDerWaalsContact O-N 3.12Å
665D40Very low40.7Very low132 Ų132134.8 Ų134.871%0.70672%0.72SS**THydrogen-bonded Turntrans-78.70.9-162.9-55.7-24.4000114.8
666F44.2Very low41.1Very low186 Ų186137.3 Ų137.382%0.81672%0.722SS**THydrogen-bonded Turntrans-107.74-175.2-77.4-71.6000115.4A664A664-F666 PolarHBondContact O-N 2.88Å; A664-F666 VanDerWaalsContact O-N 3.12Å
667L44.6Very low41.4Very low143 Ų143136.2 Ų136.275%0.74972%0.717SS**SBendtrans-107-4.9-177.6-68.4178.8000115.6
668Y43.2Very low41.5Very low213 Ų213136.1 Ų136.184%0.83571%0.709SS**  trans-142.6106.7176.7-90.9-87.4000113.3P670Y668-P670 WeakPolarHBondContact O-CD 3.38Å
669P44.8Very low41.8Very low94 Ų94136.4 Ų136.461%0.6171%0.705SS**  trans-77.7114.1155.9-8.526.3000109E671P669-E671 PolarHBondContact O-N 3.2Å
670P46.4Very low42.2Very low99 Ų99136.3 Ų136.364%0.64370%0.7SS**THydrogen-bonded Turntrans-74.6-7.6-174.830.6-36.1000114.1Y668 L672 S673Y668-P670 WeakPolarHBondContact O-CD 3.38Å; P670-L672 VanDerWaalsContact C-N 3.35Å; P670-L672 PolarHBondContact O-N 2.82Å; P670-S673 PolarHBondContact O-OG 3.16Å; P670-S673 VanDerWaalsContact O-OG 3.1Å
671E44.7Very low42.1Very low156 Ų156140.9 Ų140.973%0.72971%0.707SS**Hα-helixtrans-76.6-17.9-170.6-57.8-177.2163.500114.1P669P669-E671 PolarHBondContact O-N 3.2Å
672L41.1Very low42.3Very low129 Ų129139.5 Ų139.568%0.67571%0.71SS**Hα-helixtrans-86.4-24.2-176.5-65.1-179.8000114.1P670P670-L672 VanDerWaalsContact C-N 3.35Å; P670-L672 PolarHBondContact O-N 2.82Å
673S40.2Very low42.1Very low81 Ų81132.8 Ų132.857%0.56670%0.702SS**Hα-helixtrans-72.5-41.8176.751.70000111.6P670 R675 L676 S677P670-S673 PolarHBondContact O-OG 3.16Å; P670-S673 VanDerWaalsContact O-OG 3.1Å; S673-R675 PolarHBondContact O-N 3.02Å; S673-L676 PolarHBondContact O-N 2.99Å; S673-L676 VanDerWaalsContact O-N 3.16Å; S673-S677 PolarHBondContact O-OG 2.91Å
674A42.3Very low41.9Very low58 Ų58132.2 Ų132.248%0.47971%0.707SS.*Hα-helixtrans-55.8-35.7177.200000112.8L676A674-L676 VanDerWaalsContact C-N 3.31Å; A674-L676 PolarHBondContact O-N 3.37Å
675R39.2Very low41.6Very low193 Ų193137.5 Ų137.573%0.72872%0.72SS**Hα-helixtrans-76.9-7.3-177.9-75.8-61-153.71695.9115.8S673S673-R675 PolarHBondContact O-N 3.02Å
676L43.9Very low41.2Very low131 Ų131135.8 Ų135.869%0.68672%0.718SS**Hα-helixtrans-104.3-22.6178-68.5174000113.1S673 A674S673-L676 PolarHBondContact O-N 2.99Å; S673-L676 VanDerWaalsContact O-N 3.16Å; A674-L676 VanDerWaalsContact C-N 3.31Å; A674-L676 PolarHBondContact O-N 3.37Å
677S45.5Very low40.6Very low84 Ų84132.7 Ų132.759%0.58772%0.72SS**Hα-helixtrans-67-34.5177.5-54.90000113.3S673 L679S673-S677 PolarHBondContact O-OG 2.91Å; S677-L679 PolarHBondContact O-N 2.97Å; S677-L679 VanDerWaalsContact O-N 3.11Å
678D41.5Very low39.8Very low131 Ų131131.4 Ų131.470%0.70172%0.723SS**THydrogen-bonded Turntrans-73.12.1-174.3-66.8-15.2000114.7
679L44.4Very low39.4Very low141 Ų141126.9 Ų126.974%0.73872%0.722SS**THydrogen-bonded Turntrans-111.54.6-174.2-76.1171.7000114.8S677S677-L679 PolarHBondContact O-N 2.97Å; S677-L679 VanDerWaalsContact O-N 3.11Å
680T44.2Very low38.9Very low108 Ų108128.9 Ų128.966%0.66373%0.728SS**SBendtrans-139.687.9177.853.80000112.4
681L42.2Very low38.5Very low168 Ų168130.1 Ų130.188%0.8873%0.734SS**  trans174.183.4138.3-95.1163.6000111.4
682E39.4Very low37.9Very low200 Ų200131 Ų13194%0.93574%0.738SS**  trans-132.5103.8158.2-85.7-66.6167.300106.1
683G33.1Very low37.7Very low60 Ų60131 Ų13162%0.61974%0.744SS**  trans170.588.5-168.200000115.3
684E33.6Very low38.2Very low201 Ų201133 Ų13394%0.93976%0.755SS**  trans72.9159159.4-50.6-163.5119.800118.5
685Q34.5Very low37.9Very low180 Ų180133.4 Ų133.484%0.84176%0.764SS**  trans-147.8158.6-156.7-70-174.2-3.900114.5
686S31.9Very low37.9Very low95 Ų95130.8 Ų130.866%0.66477%0.769SS**  trans76.5125.3144.7-67.30000122
687S31.9Very low37.7Very low121 Ų121131.9 Ų131.985%0.84678%0.775SS**  trans68.8144147.972.40000117.8
688S28.8Very low37.3Very low116 Ų116138 Ų13881%0.81181%0.809SS**  cis-159.1178.7-758.10000108.1
689S33.3Very low37.1Very low118 Ų118138.4 Ų138.483%0.82581%0.814SS**  cis-140.7-129.510.760.60000112.2
690D35.7Very low36.8Very low137 Ų137138.3 Ų138.373%0.73382%0.818SS**  trans-158.4152.9-168.6-164.4-11000110.8
691T36.2Very low36.3Very low125 Ų125139.9 Ų139.977%0.76783%0.827SS**  trans-169.5120.8133.322.50000115.2
692Q32.1Very low36Very low175 Ų175138.3 Ų138.382%0.81882%0.824SS**  trans76.8108.8143-70.6-176-64.100122.9
693T37Very low35.8Very low129 Ų129134.4 Ų134.479%0.79182%0.817SS**  trans-65.6-180142.743.30000112.5
694P50.7Low36Very low123 Ų123139.4 Ų139.480%0.79983%0.83SS**  cis-118.8-1750.342.5-27.6000112.6
695G36Very low36.1Very low65 Ų65135 Ų13567%0.6782%0.822SS**  cis106.4117.38.200000113.1
696T40.2Very low36.2Very low138 Ų138131.5 Ų131.585%0.84782%0.821SS**  trans-179.6159.5157.6-76.40000110.2
697L39Very low36.6Very low155 Ų155134.6 Ų134.681%0.81283%0.834SS**  trans-51.7157.2173.8-64.885.6000112.7
698V38.4Very low37Very low213 Ų213135.8 Ų135.8100%1.29183%0.833SS**  cis-136.5041.6170.80000112.6

Retrieved 698 of 698 residues in 349.2 ms (Link to these results)