G4LZ79_SCHMA Loading...

Basic helix-loop-helix protein, putative

AlphaFold DB , UniProt , Accession G4LZ79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 437 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low39.8Very low239 Ų239161 Ų161100%1.17784%0.844SS**  0131.20-78.8-178.7169.900107.4
2N35.5Very low40Very low156 Ų156162.5 Ų162.583%0.83484%0.843SS**  trans-93.6133.9-173-58.4-21.2000110.3
3Y42.7Very low39.7Very low234 Ų234169.4 Ų169.492%0.91885%0.851SS**  trans-144144151-91.7-71.2000109.6
4S39.4Very low39.6Very low117 Ų117165.9 Ų165.982%0.81885%0.851SS**  trans-77.3146.4-153.8-54.40000115.7
5V39Very low39.1Very low122 Ų122162.1 Ų162.174%0.73985%0.845SS**  trans-72.9144.5161.3-179.40000109.3
6N46.9Very low38.8Very low155 Ų155163.9 Ų163.983%0.82985%0.851SS**  trans-153.593153.7-96.2-22.4000109.2
7N36Very low38.6Very low152 Ų152163.5 Ų163.581%0.81384%0.844SS**  trans-110.7112.4158.9-88.8-15.8000106.6
8L42.6Very low38.4Very low157 Ų157163.8 Ų163.882%0.82285%0.845SS**  trans-95103.2161.8-123.265.5000105.1
9E39.1Very low38.3Very low162 Ų162161.8 Ų161.876%0.75784%0.836SS**  83.9130.472.1-170.1165.8-144.600111.5
10N33.8Very low38.3Very low160 Ų160160.5 Ų160.586%0.85684%0.835SS**  trans-82.7141.1-173.9-60-68.4000110.1
11T43.7Very low38.1Very low117 Ų117158 Ų15872%0.71883%0.832SS**  trans-138.3106.5164.9-430000111.2
12E41.1Very low38Very low179 Ų179154.2 Ų154.284%0.83682%0.816SS**  trans66.1113.9144.2-62.2177.8171.300121
13R37Very low38Very low252 Ų252153.5 Ų153.595%0.95181%0.812SS**  trans-62.9132.8149.7-62167.4172.4154-3.6109
14S37.9Very low37.8Very low120 Ų120152.8 Ų152.884%0.83981%0.81SS**  trans-141.2134.6147.6-164.20000110.7
15S32.2Very low37.7Very low109 Ų109155.2 Ų155.276%0.76281%0.812SS**  trans-77135.6-175.850.30000111.8
16M34Very low37.4Very low191 Ų191159.7 Ų159.794%0.94182%0.817SS**  trans-123.4132.3152.7-81.3-158.2157.800111
17Q35.2Very low37.1Very low157 Ų157161.7 Ų161.773%0.73482%0.819SS**  trans-68.1138.7-177.8-67.5170.4-12.100110.7N19Q17-N19 VanDerWaalsContact C-N 3.31Å; Q17-N19 PolarHBondContact O-N 3.08Å; Q17-N19 VanDerWaalsContact O-N 3.08Å; Q17-N19 PolarHBondContact OE1-ND2 3.13Å
18I36.1Very low36.9Very low169 Ų169160.8 Ų160.887%0.86781%0.814SS**  trans-78.188.6162.1-59.3172.7000106.7
19N36.2Very low36.8Very low126 Ų126159 Ų15967%0.67481%0.809SS**  trans-92.3127.2170.5-79.8-33.2000110.1Q17 S21Q17-N19 VanDerWaalsContact C-N 3.31Å; Q17-N19 PolarHBondContact O-N 3.08Å; Q17-N19 VanDerWaalsContact O-N 3.08Å; Q17-N19 PolarHBondContact OE1-ND2 3.13Å; N19-S21 PolarHBondContact O-N 3.36Å
20V37.2Very low36.6Very low136 Ų136158.2 Ų158.282%0.82481%0.81SS**  trans-77.1115.4176.9175.10000109.2
21S35.7Very low37.3Very low109 Ų109159 Ų15976%0.76281%0.808SS**  trans-172.6166.5153.8-83.20000110.2N19N19-S21 PolarHBondContact O-N 3.36Å
22D36.6Very low36.9Very low159 Ų159160 Ų16085%0.8581%0.809SS**  trans100.556.8174.3-57.1-2.9000116.8
23N35.2Very low36.9Very low140 Ų140158.8 Ų158.875%0.74981%0.809SS**  trans-74161.1134-87.3-50.1000109.5
24Y38.3Very low37.1Very low220 Ų220155 Ų15586%0.86381%0.806SS**  trans73.590.6174.9-42.1-77.5000117.1
25L37Very low37Very low167 Ų167154.6 Ų154.687%0.87480%0.803SS**  -159.7127106.6-132.972000113
26Y33.3Very low37.4Very low216 Ų216154.4 Ų154.485%0.84780%0.801SS**  trans-102.1118.1167.7-146.3-84.8000106.6
27K41Very low37.5Very low198 Ų198153 Ų15386%0.86180%0.797SS**  trans-164.6135.6156.2-115.1168.5-173.8-177.20113.7
28N32.7Very low37.7Very low133 Ų133150.5 Ų150.571%0.71180%0.798SS**  trans-64.1148.7-177.9-43.7-25.1000112.7
29V40.4Very low38Very low118 Ų118149.9 Ų149.972%0.71580%0.795SS**  trans-141.8121.1138.1-174.10000108.4H31V29-H31 WeakPolarHBondContact CG1-CD2 3.37Å
30N35.1Very low38.2Very low146 Ų146149.9 Ų149.978%0.78180%0.8SS**  trans-94.9137.3160-73.2-16.3000107.2
31H46.9Very low37.9Very low176 Ų176148.7 Ų148.782%0.81580%0.798SS**  trans-138122.5159.9-87.3-61.8000109.5V29V29-H31 WeakPolarHBondContact CG1-CD2 3.37Å
32D36.9Very low38.2Very low139 Ų139147.9 Ų147.974%0.74380%0.797SS**  trans-80.6164175.8-58-63.5000111.8
33N39.6Very low38.4Very low154 Ų154147.5 Ų147.582%0.82480%0.796SS**  trans61.593155.5-58.4-31.6000118.8
34I41.3Very low38.7Very low172 Ų172148.9 Ų148.988%0.88280%0.802SS**  trans-127.7119.2137-60.8-178000108.1
35S35.3Very low38.8Very low111 Ų111146.7 Ų146.778%0.77680%0.803SS**  trans-105.1129.4170.7175.70000109
36S41.4Very low38.7Very low105 Ų105143.9 Ų143.973%0.73480%0.798SS**  trans-177.8137.9144.749.70000111.2
37D36.8Very low39.3Very low161 Ų161142.5 Ų142.586%0.86180%0.796SS**  trans-69.9139.4-176.9-52.3-81.1000113.4
38S38.4Very low39Very low106 Ų106139.9 Ų139.974%0.74180%0.797SS**  trans-171.3163.4141.352.80000111.8
39L41.9Very low39.7Very low155 Ų155139.5 Ų139.581%0.81280%0.8SS**  trans77.868.2168-48.5-177.8000117.4
40T40.7Very low40.2Very low126 Ų126140.1 Ų140.177%0.77380%0.804SS**  26.7126.9112-38.20000118.9
41S32.1Very low40.7Very low112 Ų112138.7 Ų138.778%0.78380%0.802SS**  trans59.788.4154.960.90000119.1
42A41.9Very low41.1Very low91 Ų91138.2 Ų138.275%0.75280%0.804SS**  trans-149.1121.3146.100000112.6
43N40.4Very low42.1Very low152 Ų152139.3 Ų139.381%0.81380%0.798SS**  trans57.387.2148.4-57.4-32.3000119.4I45N43-I45 PolarHBondContact O-N 3.34Å
44L40.6Very low42.9Very low169 Ų169135.9 Ų135.989%0.88578%0.784SS**  -17.4112.1122.8-68.1150.4000113.4
45I41.1Very low43.8Very low173 Ų173136.8 Ų136.889%0.88778%0.782SS**  trans-175.796.1138.3-94.2149.8000107.9N43N43-I45 PolarHBondContact O-N 3.34Å
46S34.4Very low45.4Very low108 Ų108135.4 Ų135.476%0.75577%0.772SS**  trans-127.5106.1164.556.20000108.6
47K45.7Very low46.8Very low187 Ų187137.3 Ų137.381%0.81376%0.763SS**SBendtrans-172.696.1157-101145.3-168.6-178.90110.5
48T36Very low48.7Very low143 Ų143134.7 Ų134.788%0.87775%0.748SS**  trans48.673.3147.261.10000117.7
49T47.3Very low50.6Low126 Ų126134.7 Ų134.777%0.77374%0.739SS**PPolyproline II helixtrans-103.2126.2146.5119.40000107.3
50T49.7Very low52.5Low131 Ų131129.4 Ų129.480%0.80472%0.718SS**PPolyproline II helixtrans-74.5125.4169.142.90000107.6I52T50-I52 PolarHBondContact O-N 3.05Å
51P46.4Very low54.6Low115 Ų115129 Ų12975%0.74771%0.705SS**PPolyproline II helixtrans-64.6124.5-174.824.1-32.9000109.8R53P51-R53 PolarHBondContact O-N 3.13Å
52I55.1Low57.2Low166 Ų166128.7 Ų128.785%0.85170%0.695SS**  trans-56.1103.8177.5-64.4171000107.9T50 P54T50-I52 PolarHBondContact O-N 3.05Å; I52-P54 WeakPolarHBondContact O-CD 3.38Å
53R58.7Low59.3Low163 Ų163129 Ų12962%0.61568%0.683SS**  trans-63.9120-171.1-134.2-177.5-162.6174.212.4108.7P51 K55P51-R53 PolarHBondContact O-N 3.13Å; R53-K55 PolarHBondContact O-N 3.46Å
54P56.3Low61.3Low82 Ų82126 Ų12653%0.53267%0.667SS.*  trans-63.1132.6-176.125.3-34.4000109.6I52 S56 R57I52-P54 WeakPolarHBondContact O-CD 3.38Å; P54-S56 PolarHBondContact O-N 3.12Å; P54-R57 PolarHBondContact O-N 3.27Å
55K59.4Low63.7Low191 Ų191123.9 Ų123.983%0.8365%0.65SS**Hα-helixtrans-53-30.2-176.3-69.2179.5178.6175.80112.2R53 R57 L58 L59R53-K55 PolarHBondContact O-N 3.46Å; K55-R57 VanDerWaalsContact C-N 3.33Å; K55-R57 PolarHBondContact O-N 3.08Å; K55-L58 PolarHBondContact O-N 2.89Å; K55-L59 WeakPolarHBondContact O-CB 3.32Å; K55-L59 PolarHBondContact O-N 3.21Å
56S68.8Low65.9Low81 Ų81124.7 Ų124.757%0.56664%0.642SS**Hα-helixtrans-53.1-40.617356.50000113.9P54 L58 A60P54-S56 PolarHBondContact O-N 3.12Å; S56-L58 PolarHBondContact O-N 3.22Å; S56-A60 WeakPolarHBondContact O-CB 3.34Å; S56-A60 PolarHBondContact O-N 3.02Å
57R72.4Confident68.3Low146 Ų146126 Ų12655%0.55163%0.634SS**Hα-helixtrans-70.8-31.2-179.9-177.1170174.5150.4-1.2112.7P54 K55 K61P54-R57 PolarHBondContact O-N 3.27Å; K55-R57 VanDerWaalsContact C-N 3.33Å; K55-R57 PolarHBondContact O-N 3.08Å; R57-K61 WeakPolarHBondContact O-CG 3.47Å; R57-K61 PolarHBondContact O-N 2.82Å
58L75.9Confident70.2Confident105 Ų105125.7 Ų125.755%0.5563%0.628SS.*Hα-helixtrans-79.4-41.1177.1-146.9164000110.3K55 S56 K61 L62K55-L58 PolarHBondContact O-N 2.89Å; S56-L58 PolarHBondContact O-N 3.22Å; L58-K61 WeakPolarHBondContact O-CB 3.48Å; L58-K61 PolarHBondContact O-N 3.31Å; L58-L62 HydrophobicContact CD2-CD1 3.56Å; L58-L62 PolarHBondContact O-N 3.03Å
59L77.5Confident72.4Confident106 Ų106122.6 Ų122.656%0.55560%0.603SS**Hα-helixtrans-60.5-46.7172.4-175.660.5000111.9K55 K61 L62 I63K55-L59 WeakPolarHBondContact O-CB 3.32Å; K55-L59 PolarHBondContact O-N 3.21Å; L59-K61 VanDerWaalsContact C-N 3.29Å; L59-K61 PolarHBondContact O-N 3.05Å; L59-L62 PolarHBondContact O-N 3.22Å; L59-L62 VanDerWaalsContact O-N 3.08Å; L59-I63 HydrophobicContact CD1-CD1 4.21Å; L59-I63 HydrophobicContact CD1-CG1 4.4Å; L59-I63 HydrophobicContact CG-CD1 3.89Å; L59-I63 HydrophobicContact CG-CG1 4.49Å; L59-I63 WeakPolarHBondContact O-CG1 3.34Å; L59-I63 PolarHBondContact O-N 3.35Å
60A81.5Confident74Confident44 Ų44120.4 Ų120.436%0.36459%0.59SS.*Hα-helixtrans-60.4-36.7174.600000112.4S56 N64S56-A60 WeakPolarHBondContact O-CB 3.34Å; S56-A60 PolarHBondContact O-N 3.02Å; A60-N64 VanDerWaalsContact O-CB 3.26Å; A60-N64 WeakPolarHBondContact O-CB 3.26Å; A60-N64 VanDerWaalsContact O-CG 3.23Å; A60-N64 PolarHBondContact O-N 3.35Å; A60-N64 PolarHBondContact O-ND2 3.44Å; A60-N64 VanDerWaalsContact O-ND2 3.12Å
61K85.3Confident75.3Confident117 Ų117119.7 Ų119.751%0.50958%0.579SS.*Hα-helixtrans-64.3-42.4171.6-82.9-175169.1-157.40112.4R57 L58 L59 K65R57-K61 WeakPolarHBondContact O-CG 3.47Å; R57-K61 PolarHBondContact O-N 2.82Å; L58-K61 WeakPolarHBondContact O-CB 3.48Å; L58-K61 PolarHBondContact O-N 3.31Å; L59-K61 VanDerWaalsContact C-N 3.29Å; L59-K61 PolarHBondContact O-N 3.05Å; K61-K65 WeakPolarHBondContact O-CB 2.74Å; K61-K65 PolarHBondContact O-N 3Å
62L86.6Confident76.7Confident107 Ų107120.4 Ų120.456%0.5657%0.573SS**Hα-helixtrans-65.5-45.8176.2-10790000112.1L58 L59 N64 K65 R66L58-L62 HydrophobicContact CD2-CD1 3.56Å; L58-L62 PolarHBondContact O-N 3.03Å; L59-L62 PolarHBondContact O-N 3.22Å; L59-L62 VanDerWaalsContact O-N 3.08Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 3.19Å; L62-K65 PolarHBondContact O-N 3.28Å; L62-R66 PolarHBondContact O-N 3.2Å
63I85.4Confident77.4Confident97 Ų97117.3 Ų117.350%0.49756%0.557SS.*Hα-helixtrans-59.1-46.7177-68.3167.9000110L59 K65 R66 K67L59-I63 HydrophobicContact CD1-CD1 4.21Å; L59-I63 HydrophobicContact CD1-CG1 4.4Å; L59-I63 HydrophobicContact CG-CD1 3.89Å; L59-I63 HydrophobicContact CG-CG1 4.49Å; L59-I63 WeakPolarHBondContact O-CG1 3.34Å; L59-I63 PolarHBondContact O-N 3.35Å; I63-K65 PolarHBondContact O-N 2.91Å; I63-R66 PolarHBondContact O-N 3.42Å; I63-K67 VanDerWaalsContact O-CB 3.3Å; I63-K67 WeakPolarHBondContact O-CB 3.3Å; I63-K67 PolarHBondContact O-N 2.94Å
64N84.1Confident77.8Confident89 Ų89117.8 Ų117.848%0.47656%0.559SS.*Hα-helixtrans-66.9-32.4177.3-73.8-30.2000113.2A60 L62 R68A60-N64 VanDerWaalsContact O-CB 3.26Å; A60-N64 WeakPolarHBondContact O-CB 3.26Å; A60-N64 VanDerWaalsContact O-CG 3.23Å; A60-N64 PolarHBondContact O-N 3.35Å; A60-N64 PolarHBondContact O-ND2 3.44Å; A60-N64 VanDerWaalsContact O-ND2 3.12Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 3.19Å; N64-R68 WeakPolarHBondContact O-CG 3.37Å; N64-R68 PolarHBondContact O-N 3.24Å
65K91Very high78.1Confident124 Ų124118.4 Ų118.454%0.53956%0.558SS.*Hα-helixtrans-65.7-52.4172.5-177174.8-176.4-72.60110.6K61 L62 I63 K67 R68 E69K61-K65 WeakPolarHBondContact O-CB 2.74Å; K61-K65 PolarHBondContact O-N 3Å; L62-K65 PolarHBondContact O-N 3.28Å; I63-K65 PolarHBondContact O-N 2.91Å; K65-K67 VanDerWaalsContact C-N 3.31Å; K65-K67 PolarHBondContact O-N 3.17Å; K65-R68 WeakPolarHBondContact O-CB 3.46Å; K65-R68 PolarHBondContact O-N 3.38Å; K65-R68 VanDerWaalsContact O-N 3.08Å; K65-E69 WeakPolarHBondContact CE-OE1 3.46Å; K65-E69 WeakPolarHBondContact CG-OE1 3.45Å; K65-E69 IonicContact NZ-OE1 2.61Å; K65-E69 PolarHBondContact NZ-OE1 2.84Å; K65-E69 IonicContact NZ-OE2 3.93Å; K65-E69 WeakPolarHBondContact O-CG 3.23Å; K65-E69 PolarHBondContact O-N 3.14Å
66R85.9Confident78.1Confident190 Ų190113 Ų11372%0.71754%0.544SS*.Hα-helixtrans-60.3-38.8178.9-158.1177-173.1121.8-1.8112.1L62 I63 R68 E69 T70L62-R66 PolarHBondContact O-N 3.2Å; I63-R66 PolarHBondContact O-N 3.42Å; R66-R68 PolarHBondContact O-N 3.45Å; R66-E69 WeakPolarHBondContact CA-OE2 3.26Å; R66-E69 PolarHBondContact O-N 2.79Å; R66-T70 WeakPolarHBondContact O-CG2 3.45Å; R66-T70 PolarHBondContact O-N 3.09Å; R66-T70 PolarHBondContact O-OG1 3.44Å
67K85.9Confident77.5Confident136 Ų136113.5 Ų113.559%0.59154%0.54SS*.Hα-helixtrans-64.9-33.9175.6-169.8171.9-177.4175.80113.3I63 K65 T70 M71I63-K67 VanDerWaalsContact O-CB 3.3Å; I63-K67 WeakPolarHBondContact O-CB 3.3Å; I63-K67 PolarHBondContact O-N 2.94Å; K65-K67 VanDerWaalsContact C-N 3.31Å; K65-K67 PolarHBondContact O-N 3.17Å; K67-T70 PolarHBondContact O-OG1 3.35Å; K67-M71 PolarHBondContact O-N 3.42Å
68R85.8Confident76.7Confident180 Ų180114.7 Ų114.768%0.67954%0.544SS*.Hα-helixtrans-70.1-43.3172.5-71.5170.7-174.9-174.3-0.3111.4N64 K65 R66 M71 Q72N64-R68 WeakPolarHBondContact O-CG 3.37Å; N64-R68 PolarHBondContact O-N 3.24Å; K65-R68 WeakPolarHBondContact O-CB 3.46Å; K65-R68 PolarHBondContact O-N 3.38Å; K65-R68 VanDerWaalsContact O-N 3.08Å; R66-R68 PolarHBondContact O-N 3.45Å; R68-M71 PolarHBondContact O-N 3.44Å; R68-Q72 WeakPolarHBondContact O-CG 3.36Å; R68-Q72 PolarHBondContact O-N 3.46Å
69E81.5Confident75.7Confident78 Ų78118 Ų11836%0.36455%0.554SS.*Hα-helixtrans-60.9-47.4178.8-70.2161.4169.500111.1K65 R66 M71 Q72 L73K65-E69 WeakPolarHBondContact CE-OE1 3.46Å; K65-E69 WeakPolarHBondContact CG-OE1 3.45Å; K65-E69 IonicContact NZ-OE1 2.61Å; K65-E69 PolarHBondContact NZ-OE1 2.84Å; K65-E69 IonicContact NZ-OE2 3.93Å; K65-E69 WeakPolarHBondContact O-CG 3.23Å; K65-E69 PolarHBondContact O-N 3.14Å; R66-E69 WeakPolarHBondContact CA-OE2 3.26Å; R66-E69 PolarHBondContact O-N 2.79Å; E69-M71 VanDerWaalsContact C-N 3.34Å; E69-M71 PolarHBondContact O-N 3.38Å; E69-Q72 PolarHBondContact O-N 3.42Å; E69-Q72 VanDerWaalsContact O-N 3.17Å; E69-L73 WeakPolarHBondContact O-CG 3.43Å; E69-L73 PolarHBondContact O-N 3.11Å; E69-L73 VanDerWaalsContact O-N 3.13Å
70T80.9Confident74.5Confident81 Ų81116.9 Ų116.950%0.49755%0.552SS.*Hα-helixtrans-64.8-33.6176.357.10000113.4R66 K67 R74R66-T70 WeakPolarHBondContact O-CG2 3.45Å; R66-T70 PolarHBondContact O-N 3.09Å; R66-T70 PolarHBondContact O-OG1 3.44Å; K67-T70 PolarHBondContact O-OG1 3.35Å; T70-R74 WeakPolarHBondContact O-CB 3.41Å; T70-R74 PolarHBondContact O-N 3.11Å; T70-R74 VanDerWaalsContact O-N 3.13Å
71M76.5Confident73.1Confident115 Ų115119.7 Ų119.757%0.56756%0.561SS**Hα-helixtrans-66-38.2172.3-90.8-173.663.700113K67 R68 E69 N75K67-M71 PolarHBondContact O-N 3.42Å; R68-M71 PolarHBondContact O-N 3.44Å; E69-M71 VanDerWaalsContact C-N 3.34Å; E69-M71 PolarHBondContact O-N 3.38Å; M71-N75 VanDerWaalsContact O-CG 3.32Å; M71-N75 PolarHBondContact O-N 3.01Å; M71-N75 VanDerWaalsContact O-N 3.17Å
72Q76.4Confident71.5Confident131 Ų131120.6 Ų120.661%0.61257%0.571SS**Hα-helixtrans-66.8-45178.8-71.9176.415.700111.3R68 E69 R74 N75 S76R68-Q72 WeakPolarHBondContact O-CG 3.36Å; R68-Q72 PolarHBondContact O-N 3.46Å; E69-Q72 PolarHBondContact O-N 3.42Å; E69-Q72 VanDerWaalsContact O-N 3.17Å; Q72-R74 PolarHBondContact O-N 3.43Å; Q72-N75 PolarHBondContact O-N 2.99Å; Q72-N75 VanDerWaalsContact O-N 3.14Å; Q72-S76 PolarHBondContact O-N 2.72Å; Q72-S76 VanDerWaalsContact O-N 3.08Å
73L69.8Low69.9Low100 Ų100122.7 Ų122.752%0.52458%0.583SS.*Hα-helixtrans-59.9-44.7175.9-64.6173.3000111.9E69 N75 S76 L77E69-L73 WeakPolarHBondContact O-CG 3.43Å; E69-L73 PolarHBondContact O-N 3.11Å; E69-L73 VanDerWaalsContact O-N 3.13Å; L73-N75 PolarHBondContact O-N 3.44Å; L73-S76 PolarHBondContact O-N 2.94Å; L73-S76 VanDerWaalsContact O-N 3.15Å; L73-L77 PolarHBondContact O-N 3.4Å
74R68Low68.1Low174 Ų174126.9 Ų126.966%0.65760%0.598SS**Hα-helixtrans-60.8-30.2176.4-167.7173.4-171.1155.44113.3T70 Q72 R78T70-R74 WeakPolarHBondContact O-CB 3.41Å; T70-R74 PolarHBondContact O-N 3.11Å; T70-R74 VanDerWaalsContact O-N 3.13Å; Q72-R74 PolarHBondContact O-N 3.43Å; R74-R78 PolarHBondContact O-N 3.14Å
75N61.9Low66.3Low94 Ų94130.7 Ų130.750%0.50362%0.615SS.*Hα-helixtrans-79.2-32.4176.9-73.1-13.3000112.8M71 Q72 L73M71-N75 VanDerWaalsContact O-CG 3.32Å; M71-N75 PolarHBondContact O-N 3.01Å; M71-N75 VanDerWaalsContact O-N 3.17Å; Q72-N75 PolarHBondContact O-N 2.99Å; Q72-N75 VanDerWaalsContact O-N 3.14Å; L73-N75 PolarHBondContact O-N 3.44Å
76S59.9Low64.2Low78 Ų78134.7 Ų134.755%0.54563%0.632SS.*Hα-helixtrans-66-44.8170.6-72.60000111.7Q72 L73 R78 K79 T80Q72-S76 PolarHBondContact O-N 2.72Å; Q72-S76 VanDerWaalsContact O-N 3.08Å; L73-S76 PolarHBondContact O-N 2.94Å; L73-S76 VanDerWaalsContact O-N 3.15Å; S76-R78 VanDerWaalsContact C-N 3.25Å; S76-R78 PolarHBondContact O-N 3.42Å; S76-K79 PolarHBondContact O-N 3.33Å; S76-T80 PolarHBondContact O-N 3.19Å
77L56.5Low62.2Low91 Ų91130.5 Ų130.548%0.47663%0.632SS.*Hα-helixtrans-65.4-26.9-179.1-136.171.7000113.4L73 K79 T80 N81L73-L77 PolarHBondContact O-N 3.4Å; L77-K79 VanDerWaalsContact C-N 3.31Å; L77-T80 PolarHBondContact O-OG1 3.3Å; L77-N81 PolarHBondContact O-OD1 2.91Å
78R53.8Low60.3Low171 Ų171130.9 Ų130.965%0.64564%0.64SS**Hα-helixtrans-72.8-17.9171.6-81.7-175.4166.8-167.6-5.1114.2R74 S76R74-R78 PolarHBondContact O-N 3.14Å; S76-R78 VanDerWaalsContact C-N 3.25Å; S76-R78 PolarHBondContact O-N 3.42Å
79K54.7Low58.5Low174 Ų174131.1 Ų131.176%0.75765%0.649SS**Hα-helixtrans-87-25174.8-75.4-173.5173-175.20113.2S76 L77S76-K79 PolarHBondContact O-N 3.33Å; L77-K79 VanDerWaalsContact C-N 3.31Å
80T53.8Low56.9Low84 Ų84131.4 Ų131.452%0.51566%0.66SS.*Hα-helixtrans-82.2-30.8179.851.70000113.2S76 L77 N82S76-T80 PolarHBondContact O-N 3.19Å; L77-T80 PolarHBondContact O-OG1 3.3Å; T80-N82 PolarHBondContact O-N 3.03Å
81N51.6Low55.2Low102 Ų102134.3 Ų134.355%0.54567%0.672SS.*G310 helixtrans-86.5-6.8-167.9-65.45.5000114.8L77L77-N81 PolarHBondContact O-OD1 2.91Å
82N51.5Low53.7Low137 Ų137135.7 Ų135.773%0.73368%0.681SS**G310 helixtrans-85.6-5.8178.2-70.10.4000113.9T80T80-N82 PolarHBondContact O-N 3.03Å
83N53.6Low52Low150 Ų150138.3 Ų138.380%0.80269%0.691SS**G310 helixtrans-109.97.3-174.7-70.90.8000114.3
84K47.5Very low50.7Low186 Ų186139 Ų13981%0.80970%0.703SS**  trans-127.540.6-173-154.6-176.4178.2-178.40114.1
85M46.5Very low49.9Very low168 Ų168136.5 Ų136.583%0.82871%0.707SS**  trans-129.873.6176.9-67.9-88.190.800110
86K45.4Very low48.9Very low209 Ų209138.6 Ų138.691%0.90972%0.719SS**  trans-169.9100.5171.3-113.1174.3-178.4-176.40111.5
87S45.4Very low48.2Very low102 Ų102139.9 Ų139.971%0.71373%0.728SS**  trans144.589.6170.261.70000106.7
88D44.8Very low47.8Very low143 Ų143143 Ų14377%0.76575%0.745SS**  68.6110.389.1-59.5-33.7000111.3
89H48.1Very low47.2Very low185 Ų185142.8 Ų142.886%0.85676%0.756SS**  56.5126.6102.3-75.9-78000113.2
90S47.8Very low46.7Very low85 Ų85144.8 Ų144.859%0.59476%0.76SS**  cis-160.6179.49.748.20000111.3
91D46.9Very low46Very low141 Ų141146.4 Ų146.475%0.75477%0.765SS**  trans69.7164.2157.4-49.8-44000119.3
92L44.9Very low45.8Very low144 Ų144146.1 Ų146.175%0.75477%0.771SS**  cis-162.4152.2-44.9-172.767.2000106.9
93F38.9Very low45.4Very low187 Ų187148 Ų14882%0.8278%0.775SS**  trans-39129.7-175.1-58.1-93.1000119
94S43.8Very low44.9Very low113 Ų113146.6 Ų146.679%0.7977%0.768SS**  trans-171.3117.5141.2-80.70000108.3
95V49.9Very low44.9Very low122 Ų122144.1 Ų144.174%0.73977%0.768SS**  81.8129.470.3172.50000112.8
96D42.2Very low44.7Very low138 Ų138142.9 Ų142.974%0.73876%0.761SS**  trans67.796.3170.7-62.5-21.8000121.2
97S45.6Very low44.6Very low105 Ų105140.5 Ų140.573%0.73476%0.757SS**  18.2109.2116.2-53.50000117.5
98N48.1Very low44.8Very low157 Ų157144.1 Ų144.184%0.8476%0.763SS**  trans-159.6108.3139.1-92.3-47.3000111Y100N98-Y100 PolarHBondContact O-N 3.49Å
99L39.9Very low44.8Very low167 Ų167141.2 Ų141.287%0.87476%0.759SS**  trans1.1102.6130.5-175.771.8000115.5
100Y44.9Very low45Very low215 Ų215139.7 Ų139.784%0.84376%0.755SS**  trans-141127.2145.7-147.5-98.8000110.6N98N98-Y100 PolarHBondContact O-N 3.49Å
101D38.1Very low45.1Very low118 Ų118140.7 Ų140.763%0.63176%0.758SS**  trans-68.5134.4173.6-175.57.8000109.7
102S47.4Very low45.9Very low96 Ų96138.8 Ų138.867%0.67175%0.751SS**  trans-15086.8174-80.80000109.5N104S102-N104 VanDerWaalsContact C-N 3.32Å; S102-N104 PolarHBondContact O-N 3.36Å
103H44.2Very low46.3Very low176 Ų176136.6 Ų136.682%0.81574%0.741SS**  trans-41.395.7151.2-77.9-81.9000111.2
104N43.3Very low47.3Very low121 Ų121134.8 Ų134.865%0.64774%0.738SS**  trans-116.5118.1163.9-156.98.5000109S102 E106S102-N104 VanDerWaalsContact C-N 3.32Å; S102-N104 PolarHBondContact O-N 3.36Å; N104-E106 PolarHBondContact O-N 2.98Å
105V47.1Very low48.3Very low135 Ų135136.1 Ų136.182%0.81874%0.735SS**  trans-79.965.3178.2-175.50000108
106E42.7Very low49.1Very low142 Ų142134.7 Ų134.766%0.66473%0.729SS**  trans-79.1124.7171.2-74.3-163.6152.300109.9N104 H108N104-E106 PolarHBondContact O-N 2.98Å; E106-H108 PolarHBondContact O-N 3.24Å
107N43.2Very low50.5Low158 Ų158133.8 Ų133.885%0.84573%0.731SS**  trans-58.9100.8175.7-63.6-82.3000109.3A109N107-A109 PolarHBondContact O-N 3.25Å
108H49.7Very low51.9Low179 Ų179132.7 Ų132.783%0.82972%0.719SS**  trans-64.484.8171.3-79-48.7000110.2E106 I110E106-H108 PolarHBondContact O-N 3.24Å; H108-I110 PolarHBondContact O-N 3.14Å
109A43.5Very low53.7Low82 Ų82128.5 Ų128.568%0.67870%0.699SS**  trans-50.1124.3156.300000107.4N107 T111N107-A109 PolarHBondContact O-N 3.25Å; A109-T111 VanDerWaalsContact C-N 3.32Å; A109-T111 PolarHBondContact O-N 3.15Å
110I53.3Low56.1Low152 Ų152127.3 Ų127.378%0.77969%0.694SS**  trans-71.688.2-167.5-55.2173000109.2H108 T112H108-I110 PolarHBondContact O-N 3.14Å; I110-T112 HydrophobicContact CG2-CG2 3.95Å; I110-T112 PolarHBondContact O-N 3.38Å
111T49.3Very low58.3Low106 Ų106124 Ų12465%0.6569%0.686SS**  trans-69.793.4168.3-640000108A109 D113A109-T111 VanDerWaalsContact C-N 3.32Å; A109-T111 PolarHBondContact O-N 3.15Å; T111-D113 HydrophobicContact CG2-CB 4.23Å; T111-D113 PolarHBondContact O-N 3.02Å
112T63.3Low61Low101 Ų101122.7 Ų122.762%0.6268%0.676SS**THydrogen-bonded Turntrans-67.75.9-177.445.30000115.3I110I110-T112 HydrophobicContact CG2-CG2 3.95Å; I110-T112 PolarHBondContact O-N 3.38Å
113D53.3Low63.1Low99 Ų99122.9 Ų122.953%0.52967%0.669SS.*THydrogen-bonded Turntrans-110.96.9-156-65.813.7000112.9T111T111-D113 HydrophobicContact CG2-CB 4.23Å; T111-D113 PolarHBondContact O-N 3.02Å
114I61.1Low65.5Low148 Ų148118.5 Ų118.576%0.75965%0.649SS**  trans-130.357.6176.3-40177.9000110.8
115L63.5Low68Low141 Ų141118.9 Ų118.974%0.73865%0.647SS**  trans-105.2126.9156.4-146.875.6000107
116P67.9Low70.3Confident92 Ų92117 Ų11760%0.59763%0.631SS**  trans-55.2151.517323.3-32.7000110V118P116-V118 PolarHBondContact O-N 2.9Å
117P70.2Confident72.8Confident120 Ų120117.8 Ų117.878%0.77963%0.628SS**  trans-59.3113.1178.825.5-33.2000108.6T119P117-T119 PolarHBondContact O-N 3.33Å
118V75.3Confident75.4Confident81 Ų81114.6 Ų114.649%0.49161%0.611SS.*  trans-48.7118.7-178.3176.60000108.4P116 E122 L123P116-V118 PolarHBondContact O-N 2.9Å; V118-E122 VanDerWaalsContact CA-OE2 3.25Å; V118-E122 WeakPolarHBondContact CA-OE2 3.22Å; V118-E122 HydrophobicContact CG1-CB 3.84Å; V118-L123 HydrophobicContact CG1-CB 4.28Å
119T87.3Confident77.6Confident69 Ų69110.6 Ų110.642%0.42360%0.596SS.*  trans-68.6153.8-175.266.80000109.6P117 E121 E122 L123P117-T119 PolarHBondContact O-N 3.33Å; T119-E121 PolarHBondContact O-N 3.48Å; T119-E121 VanDerWaalsContact O-N 3.14Å; T119-E122 PolarHBondContact N-OE2 3.46Å; T119-E122 PolarHBondContact O-N 2.99Å; T119-E122 VanDerWaalsContact OG1-CG 3.29Å; T119-E122 WeakPolarHBondContact OG1-CG 3.48Å; T119-E122 PolarHBondContact OG1-N 3.36Å; T119-E122 VanDerWaalsContact OG1-N 3.07Å; T119-L123 PolarHBondContact O-N 3.29Å
120D89.2Confident80.1Confident142 Ų142110 Ų11076%0.75958%0.58SS**Hα-helixtrans-59.6-26.3175.9-73-47.5000111.6Q124D120-Q124 VanDerWaalsContact O-CB 3.29Å; D120-Q124 WeakPolarHBondContact O-CB 3.42Å; D120-Q124 PolarHBondContact O-N 3.24Å
121E92.5Very high82.3Confident147 Ų147106.1 Ų106.169%0.68756%0.561SS**Hα-helixtrans-70.5-51173.7-170.1152.1-153.300112.1T119 L123 Q124 E125T119-E121 PolarHBondContact O-N 3.48Å; T119-E121 VanDerWaalsContact O-N 3.14Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 3.22Å; E121-Q124 CarbonylContact O-C 3.57Å; E121-Q124 WeakPolarHBondContact O-CA 3.41Å; E121-Q124 WeakPolarHBondContact O-CB 3.48Å; E121-Q124 PolarHBondContact O-N 3.46Å; E121-E125 PolarHBondContact O-N 3.22Å
122E92.7Very high84.6Confident90 Ų90105 Ų10542%0.42155%0.549SS..Hα-helixtrans-56.6-39.4172.5-74.7168.6172.400112.2V118 T119 Q124 E125 L126V118-E122 VanDerWaalsContact CA-OE2 3.25Å; V118-E122 WeakPolarHBondContact CA-OE2 3.22Å; V118-E122 HydrophobicContact CG1-CB 3.84Å; T119-E122 PolarHBondContact N-OE2 3.46Å; T119-E122 PolarHBondContact O-N 2.99Å; T119-E122 VanDerWaalsContact OG1-CG 3.29Å; T119-E122 WeakPolarHBondContact OG1-CG 3.48Å; T119-E122 PolarHBondContact OG1-N 3.36Å; T119-E122 VanDerWaalsContact OG1-N 3.07Å; E122-Q124 VanDerWaalsContact C-N 3.35Å; E122-E125 PolarHBondContact O-N 2.94Å; E122-L126 VanDerWaalsContact O-CB 3.31Å; E122-L126 WeakPolarHBondContact O-CB 3.37Å; E122-L126 PolarHBondContact O-N 3.27Å
123L93Very high86.3Confident99 Ų99106.6 Ų106.652%0.51854%0.543SS..Hα-helixtrans-66.8-37.5176.9-175.363.1000111.8V118 T119 E121 R127V118-L123 HydrophobicContact CG1-CB 4.28Å; T119-L123 PolarHBondContact O-N 3.29Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 3.22Å; L123-R127 WeakPolarHBondContact O-CB 3.36Å; L123-R127 PolarHBondContact O-N 3.09Å
124Q93.9Very high88.4Confident85 Ų85106.2 Ų106.240%0.39754%0.538SS..Hα-helixtrans-71.3-40.9175.8177.965.50.100111.5D120 E121 E122 R127 L128D120-Q124 VanDerWaalsContact O-CB 3.29Å; D120-Q124 WeakPolarHBondContact O-CB 3.42Å; D120-Q124 PolarHBondContact O-N 3.24Å; E121-Q124 CarbonylContact O-C 3.57Å; E121-Q124 WeakPolarHBondContact O-CA 3.41Å; E121-Q124 WeakPolarHBondContact O-CB 3.48Å; E121-Q124 PolarHBondContact O-N 3.46Å; E122-Q124 VanDerWaalsContact C-N 3.35Å; Q124-R127 WeakPolarHBondContact O-CB 3.47Å; Q124-R127 PolarHBondContact O-N 3.36Å; Q124-L128 HydrophobicContact CG-CD1 4.5Å; Q124-L128 WeakPolarHBondContact O-CG 3.34Å; Q124-L128 PolarHBondContact O-N 3.02Å
125E95.1Very high90.2Very high128 Ų128106.4 Ų106.460%0.59853%0.529SS*.Hα-helixtrans-59.7-47.5171.6-72.2-163.5153.300111.7E121 E122 R127 L128 N129E121-E125 PolarHBondContact O-N 3.22Å; E122-E125 PolarHBondContact O-N 2.94Å; E125-R127 VanDerWaalsContact C-N 3.28Å; E125-R127 PolarHBondContact O-N 3.25Å; E125-L128 PolarHBondContact O-N 3.33Å; E125-L128 VanDerWaalsContact O-N 3.11Å; E125-N129 WeakPolarHBondContact O-CB 3.32Å; E125-N129 PolarHBondContact O-N 2.84Å
126L95.5Very high91.9Very high95 Ų95106 Ų10650%0.49752%0.518SS..Hα-helixtrans-57.8-42.1175.9178.260.1000111.2E122 N129 I130E122-L126 VanDerWaalsContact O-CB 3.31Å; E122-L126 WeakPolarHBondContact O-CB 3.37Å; E122-L126 PolarHBondContact O-N 3.27Å; L126-N129 PolarHBondContact O-N 2.99Å; L126-I130 HydrophobicContact CD1-CD1 3.91Å; L126-I130 HydrophobicContact CD1-CG1 4.22Å; L126-I130 HydrophobicContact CG-CD1 3.9Å; L126-I130 WeakPolarHBondContact O-CB 3.42Å; L126-I130 WeakPolarHBondContact O-CD1 3.36Å; L126-I130 WeakPolarHBondContact O-CG1 3.3Å; L126-I130 PolarHBondContact O-N 2.91Å
127R95.7Very high93.3Very high159 Ų159109.5 Ų109.560%0.652%0.52SS*.Hα-helixtrans-62.4-43.9174.9-176.8-175.7180-165.31.1111.9L123 Q124 E125 N131L123-R127 WeakPolarHBondContact O-CB 3.36Å; L123-R127 PolarHBondContact O-N 3.09Å; Q124-R127 WeakPolarHBondContact O-CB 3.47Å; Q124-R127 PolarHBondContact O-N 3.36Å; E125-R127 VanDerWaalsContact C-N 3.28Å; E125-R127 PolarHBondContact O-N 3.25Å; R127-N131 WeakPolarHBondContact O-CB 3.34Å; R127-N131 PolarHBondContact O-N 2.97Å; R127-N131 PolarHBondContact O-ND2 3.32Å
128L97.3Very high94.7Very high91 Ų91108 Ų10848%0.47650%0.503SS..Hα-helixtrans-65.3-42176.9-69.6174.2000111.8Q124 E125 N131 Q132Q124-L128 HydrophobicContact CG-CD1 4.5Å; Q124-L128 WeakPolarHBondContact O-CG 3.34Å; Q124-L128 PolarHBondContact O-N 3.02Å; E125-L128 PolarHBondContact O-N 3.33Å; E125-L128 VanDerWaalsContact O-N 3.11Å; L128-N131 PolarHBondContact O-N 2.72Å; L128-Q132 WeakPolarHBondContact O-CB 3.32Å; L128-Q132 PolarHBondContact O-N 3.41Å
129N97Very high95.8Very high96 Ų96109.4 Ų109.451%0.51350%0.504SS..Hα-helixtrans-61.5-47.9176.3-172.1-63.6000111.7E125 L126 N131 Q132 R133E125-N129 WeakPolarHBondContact O-CB 3.32Å; E125-N129 PolarHBondContact O-N 2.84Å; L126-N129 PolarHBondContact O-N 2.99Å; N129-N131 PolarHBondContact O-N 2.87Å; N129-Q132 PolarHBondContact O-N 3.48Å; N129-R133 PolarHBondContact O-N 3.25Å
130I96.6Very high96.3Very high68 Ų68110.8 Ų110.835%0.34951%0.509SS..Hα-helixtrans-59.8-45.9175.9-69.6167000110.9L126 Q132 R133 E134L126-I130 HydrophobicContact CD1-CD1 3.91Å; L126-I130 HydrophobicContact CD1-CG1 4.22Å; L126-I130 HydrophobicContact CG-CD1 3.9Å; L126-I130 WeakPolarHBondContact O-CB 3.42Å; L126-I130 WeakPolarHBondContact O-CD1 3.36Å; L126-I130 WeakPolarHBondContact O-CG1 3.3Å; L126-I130 PolarHBondContact O-N 2.91Å; I130-Q132 VanDerWaalsContact C-N 3.32Å; I130-Q132 PolarHBondContact O-N 2.93Å; I130-R133 PolarHBondContact O-N 3.28Å; I130-E134 PolarHBondContact O-N 3.02Å
131N98.2Very high96.7Very high72 Ų72108.5 Ų108.539%0.38550%0.496SS..Hα-helixtrans-61-41177-72.7-23000111.8R127 L128 N129 E134 R135R127-N131 WeakPolarHBondContact O-CB 3.34Å; R127-N131 PolarHBondContact O-N 2.97Å; R127-N131 PolarHBondContact O-ND2 3.32Å; L128-N131 PolarHBondContact O-N 2.72Å; N129-N131 PolarHBondContact O-N 2.87Å; N131-E134 PolarHBondContact O-N 3.5Å; N131-R135 WeakPolarHBondContact O-CG 3.27Å; N131-R135 PolarHBondContact O-N 3.08Å
132Q98.4Very high97Very high83 Ų83103.6 Ų103.639%0.38848%0.475SS..Hα-helixtrans-68.5-36.5178.4-168.7640.600112.2L128 N129 I130 R135 R136L128-Q132 WeakPolarHBondContact O-CB 3.32Å; L128-Q132 PolarHBondContact O-N 3.41Å; N129-Q132 PolarHBondContact O-N 3.48Å; I130-Q132 VanDerWaalsContact C-N 3.32Å; I130-Q132 PolarHBondContact O-N 2.93Å; Q132-R135 PolarHBondContact O-N 3.43Å; Q132-R136 PolarHBondContact O-N 2.95Å; Q132-R136 VanDerWaalsContact O-N 3.12Å
133R98.4Very high97.2Very high134 Ų134103.8 Ų103.851%0.50648%0.478SS..Hα-helixtrans-64.2-45.6173.6-174.2178.166.8-133.43.1112.1N129 I130 R135 R136 R137N129-R133 PolarHBondContact O-N 3.25Å; I130-R133 PolarHBondContact O-N 3.28Å; R133-R135 VanDerWaalsContact C-N 3.35Å; R133-R136 PolarHBondContact O-N 3.34Å; R133-R137 PolarHBondContact O-N 3.3Å; R133-R137 VanDerWaalsContact O-N 3.08Å
134E98.4Very high97.4Very high91 Ų91102.2 Ų102.243%0.42548%0.479SS..Hα-helixtrans-68.4-34177.5-173.262.7-165.700111.7I130 N131 R136 R137 M138I130-E134 PolarHBondContact O-N 3.02Å; N131-E134 PolarHBondContact O-N 3.5Å; E134-R136 PolarHBondContact O-N 3.16Å; E134-R137 PolarHBondContact O-N 2.98Å; E134-R137 IonicContact OE1-NH1 3.15Å; E134-R137 PolarHBondContact OE1-NH1 3.27Å; E134-R137 VanDerWaalsContact OE2-CD 3.26Å; E134-R137 WeakPolarHBondContact OE2-CD 3.33Å; E134-R137 IonicContact OE2-NH1 2.66Å; E134-R137 PolarHBondContact OE2-NH1 2.95Å; E134-R137 VanDerWaalsContact OE2-NH1 3.15Å; E134-M138 WeakPolarHBondContact O-CB 3.34Å; E134-M138 PolarHBondContact O-N 3.47Å
135R98.6Very high97.5Very high151 Ų15199 Ų9957%0.5746%0.464SS*.Hα-helixtrans-58.7-45.3170.7-82.5-167.8-74.7-117.13.8112.6N131 Q132 R133 M138 H139N131-R135 WeakPolarHBondContact O-CG 3.27Å; N131-R135 PolarHBondContact O-N 3.08Å; Q132-R135 PolarHBondContact O-N 3.43Å; R133-R135 VanDerWaalsContact C-N 3.35Å; R135-M138 PolarHBondContact O-N 3.19Å; R135-H139 PolarHBondContact O-N 3.04Å
136R98.4Very high97.5Very high134 Ų13497 Ų9751%0.50646%0.458SS..Hα-helixtrans-59.7-51.9174.5-72.1-172.1-65.4-106.70.8111.4Q132 R133 E134 M138 H139 D140Q132-R136 PolarHBondContact O-N 2.95Å; Q132-R136 VanDerWaalsContact O-N 3.12Å; R133-R136 PolarHBondContact O-N 3.34Å; E134-R136 PolarHBondContact O-N 3.16Å; R136-M138 VanDerWaalsContact C-N 3.28Å; R136-M138 PolarHBondContact O-N 3.26Å; R136-H139 CarbonylContact O-C 3.54Å; R136-H139 WeakPolarHBondContact O-CA 3.3Å; R136-H139 VanDerWaalsContact O-CB 3.27Å; R136-H139 WeakPolarHBondContact O-CB 3.48Å; R136-H139 PolarHBondContact O-N 3.39Å; R136-D140 VanDerWaalsContact O-CG 3.27Å; R136-D140 PolarHBondContact O-N 3.44Å
137R98.4Very high97.5Very high165 Ų16594.4 Ų94.462%0.62345%0.454SS*.Hα-helixtrans-55.1-40.1177.6-172.9-166.5-179.7-158.30.9113.4R133 E134 L141R133-R137 PolarHBondContact O-N 3.3Å; R133-R137 VanDerWaalsContact O-N 3.08Å; E134-R137 PolarHBondContact O-N 2.98Å; E134-R137 IonicContact OE1-NH1 3.15Å; E134-R137 PolarHBondContact OE1-NH1 3.27Å; E134-R137 VanDerWaalsContact OE2-CD 3.26Å; E134-R137 WeakPolarHBondContact OE2-CD 3.33Å; E134-R137 IonicContact OE2-NH1 2.66Å; E134-R137 PolarHBondContact OE2-NH1 2.95Å; E134-R137 VanDerWaalsContact OE2-NH1 3.15Å; R137-L141 PolarHBondContact O-N 3.46Å; R137-L141 VanDerWaalsContact O-N 3.09Å
138M98.5Very high97.5Very high88 Ų8889.3 Ų89.343%0.43344%0.438SS..Hα-helixtrans-73.2-29177.6-138.4-77.1-72.400111.9E134 R135 R136 N142E134-M138 WeakPolarHBondContact O-CB 3.34Å; E134-M138 PolarHBondContact O-N 3.47Å; R135-M138 PolarHBondContact O-N 3.19Å; R136-M138 VanDerWaalsContact C-N 3.28Å; R136-M138 PolarHBondContact O-N 3.26Å; M138-N142 PolarHBondContact O-N 2.94Å; M138-N142 VanDerWaalsContact O-N 3.09Å; M138-N142 PolarHBondContact O-ND2 3.24Å; M138-N142 PolarHBondContact SD-ND2 3.35Å; M138-N142 VanDerWaalsContact SD-ND2 3.41Å
139H98.4Very high97.4Very high111 Ų11187.5 Ų87.551%0.51443%0.425SS..Hα-helixtrans-66.2-49.3169.7-17470.2000111.2R135 R136 L141 N142 L143R135-H139 PolarHBondContact O-N 3.04Å; R136-H139 CarbonylContact O-C 3.54Å; R136-H139 WeakPolarHBondContact O-CA 3.3Å; R136-H139 VanDerWaalsContact O-CB 3.27Å; R136-H139 WeakPolarHBondContact O-CB 3.48Å; R136-H139 PolarHBondContact O-N 3.39Å; H139-L141 VanDerWaalsContact C-N 3.28Å; H139-L141 PolarHBondContact O-N 2.85Å; H139-N142 CarbonylContact O-C 3.59Å; H139-N142 WeakPolarHBondContact O-CA 3.37Å; H139-N142 WeakPolarHBondContact O-CB 3.29Å; H139-N142 PolarHBondContact O-N 3.46Å; H139-L143 WeakPolarHBondContact O-CG 3.44Å; H139-L143 PolarHBondContact O-N 3.01Å
140D98.3Very high97.2Very high97 Ų9786.1 Ų86.152%0.51942%0.423SS..Hα-helixtrans-56.8-42.3177.3-52.5-33.7000111.6R136 N142 L143 A144R136-D140 VanDerWaalsContact O-CG 3.27Å; R136-D140 PolarHBondContact O-N 3.44Å; D140-N142 PolarHBondContact O-N 2.95Å; D140-L143 PolarHBondContact O-N 3.45Å; D140-A144 PolarHBondContact O-N 3.11Å
141L98.2Very high97.1Very high95 Ų9587.3 Ų87.350%0.49743%0.433SS..Hα-helixtrans-62-39.1173176.162.6000112.7R137 H139 M145R137-L141 PolarHBondContact O-N 3.46Å; R137-L141 VanDerWaalsContact O-N 3.09Å; H139-L141 VanDerWaalsContact C-N 3.28Å; H139-L141 PolarHBondContact O-N 2.85Å; L141-M145 VanDerWaalsContact O-CG 3.32Å; L141-M145 WeakPolarHBondContact O-CG 3.49Å; L141-M145 PolarHBondContact O-N 3.34Å
142N97.7Very high96.9Very high43 Ų4384.1 Ų84.123%0.2342%0.416CS..Hα-helixtrans-70.6-39.5177.2-67.3-32.8000111.4M138 H139 D140 A144 M145 D146 K165M138-N142 PolarHBondContact O-N 2.94Å; M138-N142 VanDerWaalsContact O-N 3.09Å; M138-N142 PolarHBondContact O-ND2 3.24Å; M138-N142 PolarHBondContact SD-ND2 3.35Å; M138-N142 VanDerWaalsContact SD-ND2 3.41Å; H139-N142 CarbonylContact O-C 3.59Å; H139-N142 WeakPolarHBondContact O-CA 3.37Å; H139-N142 WeakPolarHBondContact O-CB 3.29Å; H139-N142 PolarHBondContact O-N 3.46Å; D140-N142 PolarHBondContact O-N 2.95Å; N142-A144 VanDerWaalsContact C-N 3.33Å; N142-A144 PolarHBondContact O-N 3.35Å; N142-M145 CarbonylContact O-C 3.58Å; N142-M145 WeakPolarHBondContact O-CA 3.39Å; N142-M145 WeakPolarHBondContact O-CB 3.34Å; N142-M145 PolarHBondContact O-N 2.95Å; N142-M145 VanDerWaalsContact O-N 3.11Å; N142-D146 PolarHBondContact O-N 3Å; N142-K165 VanDerWaalsContact OD1-CE 3.24Å; N142-K165 WeakPolarHBondContact OD1-CE 3.5Å; N142-K165 PolarHBondContact OD1-NZ 3.19Å
143L96.9Very high96.5Very high95 Ų9581.6 Ų81.650%0.49741%0.407SS..Hα-helixtrans-58.7-44172.4-67177.3000111.3H139 D140 M145 D146 G147H139-L143 WeakPolarHBondContact O-CG 3.44Å; H139-L143 PolarHBondContact O-N 3.01Å; D140-L143 PolarHBondContact O-N 3.45Å; L143-M145 VanDerWaalsContact C-N 3.34Å; L143-M145 PolarHBondContact O-N 3.44Å; L143-D146 PolarHBondContact O-N 3.14Å; L143-G147 PolarHBondContact O-N 3.18Å
144A97.6Very high95.4Very high65 Ų6580.1 Ų80.154%0.53740%0.402SS..Hα-helixtrans-62.9-38.3173.800000112.6D140 N142 D146 G147 L148D140-A144 PolarHBondContact O-N 3.11Å; N142-A144 VanDerWaalsContact C-N 3.33Å; N142-A144 PolarHBondContact O-N 3.35Å; A144-D146 VanDerWaalsContact C-N 3.33Å; A144-G147 PolarHBondContact O-N 2.77Å; A144-L148 PolarHBondContact O-N 3.04Å
145M96.7Very high94.4Very high18 Ų1877.5 Ų77.59%0.08939%0.393CS..Hα-helixtrans-68.3-28.4174-74.5-64.2-50.300113.4L141 N142 L143 R149 K165 T168 L169L141-M145 VanDerWaalsContact O-CG 3.32Å; L141-M145 WeakPolarHBondContact O-CG 3.49Å; L141-M145 PolarHBondContact O-N 3.34Å; N142-M145 CarbonylContact O-C 3.58Å; N142-M145 WeakPolarHBondContact O-CA 3.39Å; N142-M145 WeakPolarHBondContact O-CB 3.34Å; N142-M145 PolarHBondContact O-N 2.95Å; N142-M145 VanDerWaalsContact O-N 3.11Å; L143-M145 VanDerWaalsContact C-N 3.34Å; L143-M145 PolarHBondContact O-N 3.44Å; M145-R149 WeakPolarHBondContact O-CG 3.42Å; M145-R149 PolarHBondContact O-N 3.49Å; M145-R149 PolarHBondContact O-NH1 3.38Å; M145-R149 VanDerWaalsContact O-NH1 3.13Å; M145-K165 HydrophobicContact CE-CB 4.4Å; M145-T168 HydrophobicContact CE-CG2 3.78Å; M145-L169 HydrophobicContact CE-CD2 4.41Å; M145-L169 HydrophobicContact CE-CG 4.32Å; M145-L169 HydrophobicContact SD-CD2 4.3Å
146D94Very high93.2Very high85 Ų8577.6 Ų77.646%0.45540%0.4SS..Hα-helixtrans-81.3-35.2174.7-69.5-31.8000111.4N142 L143 A144 L148 R149 S150N142-D146 PolarHBondContact O-N 3Å; L143-D146 PolarHBondContact O-N 3.14Å; A144-D146 VanDerWaalsContact C-N 3.33Å; D146-L148 VanDerWaalsContact C-N 3.32Å; D146-L148 PolarHBondContact O-N 2.92Å; D146-R149 WeakPolarHBondContact O-CB 3.33Å; D146-R149 PolarHBondContact O-N 3.13Å; D146-R149 VanDerWaalsContact O-N 3.08Å; D146-R149 IonicContact OD1-CZ 3.55Å; D146-R149 IonicContact OD1-NH1 3.54Å; D146-R149 PolarHBondContact OD1-NH1 3.47Å; D146-S150 PolarHBondContact O-N 2.89Å
147G95.2Very high91.8Very high41 Ų4175.7 Ų75.742%0.42340%0.399SS..Hα-helixtrans-61.9-36.416700000113L143 A144 S150L143-G147 PolarHBondContact O-N 3.18Å; A144-G147 PolarHBondContact O-N 2.77Å; G147-S150 PolarHBondContact O-N 3.33Å; G147-S150 PolarHBondContact O-OG 2.98Å
148L96.8Very high90.1Very high52 Ų5274 Ų7427%0.27241%0.413SS..Hα-helixtrans-65.1-39.1169.5179.159.2000111.4A144 D146 S150 V151 L152 T168 L169 A172A144-L148 PolarHBondContact O-N 3.04Å; D146-L148 VanDerWaalsContact C-N 3.32Å; D146-L148 PolarHBondContact O-N 2.92Å; L148-S150 PolarHBondContact O-N 2.85Å; L148-V151 HydrophobicContact CD1-CG2 4.32Å; L148-V151 VanDerWaalsContact O-CG2 3.24Å; L148-V151 WeakPolarHBondContact O-CG2 3.36Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-T168 HydrophobicContact CD2-CG2 4.04Å; L148-T168 HydrophobicContact CG-CG2 4.15Å; L148-L169 HydrophobicContact CD2-CD2 4.32Å; L148-A172 HydrophobicContact CD1-CB 3.99Å; L148-A172 HydrophobicContact CD2-CB 4.1Å; L148-A172 HydrophobicContact CG-CB 4.38Å
149R95.2Very high88.4Confident54 Ų5475.6 Ų75.620%0.20443%0.433CS..Hα-helixtrans-63.6-39.7177.8-74.8174.5-174.3104.6-16.6112.2M145 D146 V151 L152 T155 L163 T168M145-R149 WeakPolarHBondContact O-CG 3.42Å; M145-R149 PolarHBondContact O-N 3.49Å; M145-R149 PolarHBondContact O-NH1 3.38Å; M145-R149 VanDerWaalsContact O-NH1 3.13Å; D146-R149 WeakPolarHBondContact O-CB 3.33Å; D146-R149 PolarHBondContact O-N 3.13Å; D146-R149 VanDerWaalsContact O-N 3.08Å; D146-R149 IonicContact OD1-CZ 3.55Å; D146-R149 IonicContact OD1-NH1 3.54Å; D146-R149 PolarHBondContact OD1-NH1 3.47Å; R149-V151 PolarHBondContact O-N 3.12Å; R149-L152 PolarHBondContact O-N 3.16Å; R149-T155 VanDerWaalsContact O-CB 3.29Å; R149-T155 WeakPolarHBondContact O-CB 3.43Å; R149-T155 PolarHBondContact O-OG1 2.91Å; R149-L163 PolarHBondContact NE-O 3.37Å; R149-L163 PolarHBondContact NH2-O 3.12Å; R149-T168 HydrophobicContact CG-CG2 3.65Å; R149-T168 PolarHBondContact NE-OG1 3.13Å
150S92.7Very high86.8Confident66 Ų6674 Ų7446%0.46243%0.427SS..Hα-helixtrans-64.8-24.2-175.167.60000114.3D146 G147 L148 Q156D146-S150 PolarHBondContact O-N 2.89Å; G147-S150 PolarHBondContact O-N 3.33Å; G147-S150 PolarHBondContact O-OG 2.98Å; L148-S150 PolarHBondContact O-N 2.85Å; S150-Q156 PolarHBondContact O-NE2 2.83Å
151V94.3Very high85.9Confident94 Ų9479.9 Ų79.957%0.5744%0.441SS*.THydrogen-bonded Turntrans-93.5-7.1178.9-59.80000114.5L148 R149L148-V151 HydrophobicContact CD1-CG2 4.32Å; L148-V151 VanDerWaalsContact O-CG2 3.24Å; L148-V151 WeakPolarHBondContact O-CG2 3.36Å; R149-V151 PolarHBondContact O-N 3.12Å
152L92.8Very high85.2Confident5 Ų585.1 Ų85.13%0.02646%0.46CS..SBendtrans-80.2151.2175.9-66.4176000111.2L148 R149 T155 T168 L171 A172 Y175L148-L152 WeakPolarHBondContact O-CG 3.46Å; R149-L152 PolarHBondContact O-N 3.16Å; L152-T155 HydrophobicContact CB-CG2 3.7Å; L152-T155 HydrophobicContact CD1-CG2 4.36Å; L152-T155 PolarHBondContact O-OG1 2.97Å; L152-T168 HydrophobicContact CD1-CG2 3.88Å; L152-L171 HydrophobicContact CB-CD2 4.31Å; L152-L171 HydrophobicContact CD1-CB 4.31Å; L152-L171 HydrophobicContact CD1-CD2 4.04Å; L152-L171 HydrophobicContact CD1-CG 4.13Å; L152-L171 HydrophobicContact CD2-CG 4.48Å; L152-A172 HydrophobicContact CD1-CB 4.45Å; L152-A172 HydrophobicContact CD2-CB 3.93Å; L152-Y175 HydrophobicContact CD2-CD1 3.92Å; L152-Y175 HydrophobicContact CD2-CG 4.49Å
153P90.1Very high84.8Confident30 Ų3084.9 Ų84.920%0.19546%0.459CS..SBendtrans-67.9150.8171.331.3-36.1000110.7T155 Y175P153-T155 PolarHBondContact O-N 2.58Å; P153-Y175 HydrophobicContact CG-CD2 3.97Å; P153-Y175 HydrophobicContact CG-CE2 4.06Å; P153-Y175 HydrophobicContact CG-CG 4.33Å
154Y75.8Confident84.7Confident103 Ų10383.1 Ų83.140%0.40445%0.454SS..SBendtrans65.4-14.2177-44.4-72.4000117.3Q156 M418Y154-Q156 VanDerWaalsContact C-N 3.3Å; Y154-Q156 PolarHBondContact O-N 3.32Å; Y154-M418 HydrophobicContact CE2-CE 3.78Å; Y154-M418 WeakPolarHBondContact OH-CE 3.38Å; Y154-M418 PolarHBondContact OH-SD 3.39Å
155T77.2Confident84.6Confident36 Ų3684.4 Ų84.422%0.22145%0.447CS..THydrogen-bonded Turntrans-71.5-21.2178.753.30000114.6R149 L152 P153 N157 L163 L171R149-T155 VanDerWaalsContact O-CB 3.29Å; R149-T155 WeakPolarHBondContact O-CB 3.43Å; R149-T155 PolarHBondContact O-OG1 2.91Å; L152-T155 HydrophobicContact CB-CG2 3.7Å; L152-T155 HydrophobicContact CD1-CG2 4.36Å; L152-T155 PolarHBondContact O-OG1 2.97Å; P153-T155 PolarHBondContact O-N 2.58Å; T155-N157 VanDerWaalsContact C-N 3.29Å; T155-L163 HydrophobicContact CG2-CD1 3.63Å; T155-L171 HydrophobicContact CG2-CD2 4.35Å
156Q73.8Confident84.6Confident153 Ų15388.4 Ų88.472%0.71547%0.468SS*.THydrogen-bonded Turntrans-75.6-18.7-178.4-61.8-178.6-5.300112.8S150 Y154 S158S150-Q156 PolarHBondContact O-NE2 2.83Å; Y154-Q156 VanDerWaalsContact C-N 3.3Å; Y154-Q156 PolarHBondContact O-N 3.32Å; Q156-S158 PolarHBondContact O-N 2.9Å; Q156-S158 VanDerWaalsContact O-N 3.12Å
157N69Low84.6Confident94 Ų9484.7 Ų84.750%0.50345%0.449SS..  trans-74.4101.1177.6-64.273.8000109.2T155 S159 M160T155-N157 VanDerWaalsContact C-N 3.29Å; N157-S159 PolarHBondContact O-N 3.46Å; N157-M160 HydrophobicContact CB-CG 4.05Å; N157-M160 HydrophobicContact CB-SD 4.18Å; N157-M160 WeakPolarHBondContact O-CB 3.24Å; N157-M160 PolarHBondContact O-N 3.22Å
158S62.7Low84.6Confident129 Ų12982.7 Ų82.790%0.90243%0.429SS*.THydrogen-bonded Turntrans-57.1-18.1-176.655.60000115.5Q156 M160Q156-S158 PolarHBondContact O-N 2.9Å; Q156-S158 VanDerWaalsContact O-N 3.12Å; S158-M160 VanDerWaalsContact C-N 3.32Å
159S63.7Low84.7Confident122 Ų12284.5 Ų84.585%0.85344%0.439SS*.THydrogen-bonded Turntrans-69.8-25.1171.6-171.20000113.2N157N157-S159 PolarHBondContact O-N 3.46Å
160M64.9Low84.7Confident78 Ų7884.5 Ų84.538%0.38444%0.442SS..SBendtrans-76.9140.2-176.3-66.9-171.170.200112.3N157 S158 K162 I415N157-M160 HydrophobicContact CB-CG 4.05Å; N157-M160 HydrophobicContact CB-SD 4.18Å; N157-M160 WeakPolarHBondContact O-CB 3.24Å; N157-M160 PolarHBondContact O-N 3.22Å; S158-M160 VanDerWaalsContact C-N 3.32Å; M160-K162 PolarHBondContact O-N 3.44Å; M160-I415 HydrophobicContact CE-CD1 3.97Å
161R77.9Confident84.7Confident220 Ų22081.9 Ų81.983%0.8342%0.423SS*.PPolyproline II helixtrans-56.4128179.5-178.2-178.1-65.8-174.4-2.8110.8L163R161-L163 PolarHBondContact O-N 2.93Å; R161-L163 VanDerWaalsContact O-N 3.16Å
162K85.2Confident84.9Confident204 Ų20477.9 Ų77.989%0.88740%0.4SS*.PPolyproline II helixtrans-49120.2177.5-68.4-173.5177.1-176.80111.6M160M160-K162 PolarHBondContact O-N 3.44Å
163L89.2Confident85Confident39 Ų3983 Ų8320%0.20442%0.419CS..PPolyproline II helixtrans-68.5133.8178.9-64.5-176.8000111.9R149 T155 R161 A167 T168 L171R149-L163 PolarHBondContact NE-O 3.37Å; R149-L163 PolarHBondContact NH2-O 3.12Å; T155-L163 HydrophobicContact CG2-CD1 3.63Å; R161-L163 PolarHBondContact O-N 2.93Å; R161-L163 VanDerWaalsContact O-N 3.16Å; L163-A167 HydrophobicContact CB-CB 4.47Å; L163-A167 HydrophobicContact CD2-CB 4.42Å; L163-T168 WeakPolarHBondContact CB-OG1 3.45Å; L163-L171 HydrophobicContact CD1-CD2 3.77Å
164S94.3Very high85.3Confident57 Ų5782.6 Ų82.640%0.39942%0.415SS..PPolyproline II helixtrans-64.4161.9170.573.60000111.2I166 A167 T168S164-I166 VanDerWaalsContact C-N 3.31Å; S164-I166 PolarHBondContact O-N 3.17Å; S164-I166 WeakPolarHBondContact OG-CG2 3.48Å; S164-A167 PolarHBondContact O-N 3.34Å; S164-A167 VanDerWaalsContact OG-CB 3.3Å; S164-A167 WeakPolarHBondContact OG-CB 3.47Å; S164-A167 PolarHBondContact OG-N 2.87Å; S164-A167 VanDerWaalsContact OG-N 3.16Å; S164-T168 WeakPolarHBondContact O-CB 3.32Å; S164-T168 PolarHBondContact O-N 2.85Å; S164-T168 PolarHBondContact O-OG1 3.08Å
165K96Very high86.3Confident92 Ų9281 Ų8140%0.441%0.409SS..Hα-helixtrans-57.1-44.9178.6-68.9-169.8174.6-169.10111.6N142 M145 T168 L169N142-K165 VanDerWaalsContact OD1-CE 3.24Å; N142-K165 WeakPolarHBondContact OD1-CE 3.5Å; N142-K165 PolarHBondContact OD1-NZ 3.19Å; M145-K165 HydrophobicContact CE-CB 4.4Å; K165-T168 PolarHBondContact O-N 2.66Å; K165-L169 WeakPolarHBondContact O-CG 3.44Å; K165-L169 PolarHBondContact O-N 3.29Å; K165-L169 VanDerWaalsContact O-N 3.12Å
166I96.5Very high87.2Confident102 Ų10284.4 Ų84.452%0.52342%0.424SS..Hα-helixtrans-66.5-41.6177.7-175.259.4000112.5S164 T168 L169 L170S164-I166 VanDerWaalsContact C-N 3.31Å; S164-I166 PolarHBondContact O-N 3.17Å; S164-I166 WeakPolarHBondContact OG-CG2 3.48Å; I166-T168 VanDerWaalsContact C-N 3.33Å; I166-T168 PolarHBondContact O-N 3.12Å; I166-L169 PolarHBondContact O-N 3.05Å; I166-L170 HydrophobicContact CD1-CD1 4.28Å; I166-L170 HydrophobicContact CD1-CG 4.24Å; I166-L170 HydrophobicContact CG1-CD1 4.01Å; I166-L170 HydrophobicContact CG1-CG 4.43Å; I166-L170 WeakPolarHBondContact O-CG 3.24Å; I166-L170 PolarHBondContact O-N 3.22Å
167A94Very high88.3Confident7 Ų780.1 Ų80.16%0.05841%0.406CS..Hα-helixtrans-64.1-39177.100000112L163 S164 L170 L171L163-A167 HydrophobicContact CB-CB 4.47Å; L163-A167 HydrophobicContact CD2-CB 4.42Å; S164-A167 PolarHBondContact O-N 3.34Å; S164-A167 VanDerWaalsContact OG-CB 3.3Å; S164-A167 WeakPolarHBondContact OG-CB 3.47Å; S164-A167 PolarHBondContact OG-N 2.87Å; S164-A167 VanDerWaalsContact OG-N 3.16Å; A167-L170 PolarHBondContact O-N 3.49Å; A167-L171 VanDerWaalsContact O-CB 3.32Å; A167-L171 WeakPolarHBondContact O-CB 3.2Å; A167-L171 PolarHBondContact O-N 2.98Å
168T95.1Very high89.5Confident0 Ų077.7 Ų77.70%039%0.393CS..Hα-helixtrans-62.4-44.6175.7-52.70000111.2M145 L148 R149 L152 L163 S164 K165 I166 A172M145-T168 HydrophobicContact CE-CG2 3.78Å; L148-T168 HydrophobicContact CD2-CG2 4.04Å; L148-T168 HydrophobicContact CG-CG2 4.15Å; R149-T168 HydrophobicContact CG-CG2 3.65Å; R149-T168 PolarHBondContact NE-OG1 3.13Å; L152-T168 HydrophobicContact CD1-CG2 3.88Å; L163-T168 WeakPolarHBondContact CB-OG1 3.45Å; S164-T168 WeakPolarHBondContact O-CB 3.32Å; S164-T168 PolarHBondContact O-N 2.85Å; S164-T168 PolarHBondContact O-OG1 3.08Å; K165-T168 PolarHBondContact O-N 2.66Å; I166-T168 VanDerWaalsContact C-N 3.33Å; I166-T168 PolarHBondContact O-N 3.12Å; T168-A172 WeakPolarHBondContact O-CB 3.44Å; T168-A172 PolarHBondContact O-N 3.47Å
169L97.5Very high91.1Very high90 Ų9074.9 Ų74.947%0.47137%0.367SS..Hα-helixtrans-66.7-40.7178.3-67.9171.6000112.7M145 L148 K165 I166 A172 R173M145-L169 HydrophobicContact CE-CD2 4.41Å; M145-L169 HydrophobicContact CE-CG 4.32Å; M145-L169 HydrophobicContact SD-CD2 4.3Å; L148-L169 HydrophobicContact CD2-CD2 4.32Å; K165-L169 WeakPolarHBondContact O-CG 3.44Å; K165-L169 PolarHBondContact O-N 3.29Å; K165-L169 VanDerWaalsContact O-N 3.12Å; I166-L169 PolarHBondContact O-N 3.05Å; L169-A172 PolarHBondContact O-N 3.43Å; L169-R173 PolarHBondContact O-N 3.21Å
170L95.1Very high92.6Very high53 Ų5372.5 Ų72.528%0.27735%0.348SS..Hα-helixtrans-65.1-45176.1-71.4170.2000111.7I166 A167 R173 N174 L406I166-L170 HydrophobicContact CD1-CD1 4.28Å; I166-L170 HydrophobicContact CD1-CG 4.24Å; I166-L170 HydrophobicContact CG1-CD1 4.01Å; I166-L170 HydrophobicContact CG1-CG 4.43Å; I166-L170 WeakPolarHBondContact O-CG 3.24Å; I166-L170 PolarHBondContact O-N 3.22Å; A167-L170 PolarHBondContact O-N 3.49Å; L170-R173 PolarHBondContact O-N 3.05Å; L170-N174 PolarHBondContact O-N 3.23Å; L170-L406 HydrophobicContact CD1-CD2 4.29Å
171L93.6Very high94Very high11 Ų1173.7 Ų73.76%0.05835%0.351CS..Hα-helixtrans-62.5-42.5176.4-178.258.4000111.3L152 T155 L163 A167 N174 Y175 F419L152-L171 HydrophobicContact CB-CD2 4.31Å; L152-L171 HydrophobicContact CD1-CB 4.31Å; L152-L171 HydrophobicContact CD1-CD2 4.04Å; L152-L171 HydrophobicContact CD1-CG 4.13Å; L152-L171 HydrophobicContact CD2-CG 4.48Å; T155-L171 HydrophobicContact CG2-CD2 4.35Å; L163-L171 HydrophobicContact CD1-CD2 3.77Å; A167-L171 VanDerWaalsContact O-CB 3.32Å; A167-L171 WeakPolarHBondContact O-CB 3.2Å; A167-L171 PolarHBondContact O-N 2.98Å; L171-N174 PolarHBondContact O-N 3.5Å; L171-Y175 VanDerWaalsContact O-CB 3.27Å; L171-Y175 WeakPolarHBondContact O-CB 3.42Å; L171-Y175 PolarHBondContact O-N 3.39Å; L171-F419 HydrophobicContact CD1-CE1 4.42Å; L171-F419 HydrophobicContact CD1-CE2 3.97Å; L171-F419 HydrophobicContact CD1-CZ 3.74Å
172A97.4Very high94.9Very high10 Ų1065.5 Ų65.58%0.08333%0.325CS..Hα-helixtrans-61-46.3175.700000112.9L148 L152 T168 L169 N174 Y175 I176L148-A172 HydrophobicContact CD1-CB 3.99Å; L148-A172 HydrophobicContact CD2-CB 4.1Å; L148-A172 HydrophobicContact CG-CB 4.38Å; L152-A172 HydrophobicContact CD1-CB 4.45Å; L152-A172 HydrophobicContact CD2-CB 3.93Å; T168-A172 WeakPolarHBondContact O-CB 3.44Å; T168-A172 PolarHBondContact O-N 3.47Å; L169-A172 PolarHBondContact O-N 3.43Å; A172-N174 VanDerWaalsContact C-N 3.35Å; A172-N174 PolarHBondContact O-N 3.35Å; A172-Y175 PolarHBondContact O-N 3.23Å; A172-I176 WeakPolarHBondContact O-CG1 3.38Å; A172-I176 PolarHBondContact O-N 2.72Å
173R96.7Very high95.4Very high112 Ų11260.7 Ų60.742%0.42331%0.309SS..Hα-helixtrans-57.8-47.9175.2-179.2-176.6177.7-83.80.9111.5L169 L170 Y175 I176 L177L169-R173 PolarHBondContact O-N 3.21Å; L170-R173 PolarHBondContact O-N 3.05Å; R173-Y175 VanDerWaalsContact C-N 3.35Å; R173-I176 PolarHBondContact O-N 2.9Å; R173-L177 HydrophobicContact CG-CD1 4.3Å; R173-L177 WeakPolarHBondContact O-CG 3.48Å; R173-L177 PolarHBondContact O-N 3.32Å; R173-L177 VanDerWaalsContact O-N 3.11Å
174N94.9Very high95.6Very high22 Ų2263.1 Ų63.112%0.11832%0.322CS..Hα-helixtrans-68.7-34.8-177.9-68.6-4.2000112.1L170 L171 A172 L177 L178 F419L170-N174 PolarHBondContact O-N 3.23Å; L171-N174 PolarHBondContact O-N 3.5Å; A172-N174 VanDerWaalsContact C-N 3.35Å; A172-N174 PolarHBondContact O-N 3.35Å; N174-L177 PolarHBondContact O-N 3.49Å; N174-L178 WeakPolarHBondContact O-CB 3.46Å; N174-L178 PolarHBondContact O-N 3.3Å; N174-F419 HydrophobicContact CB-CD1 4.38Å
175Y96.9Very high95.6Very high70 Ų7063.8 Ų63.828%0.27532%0.319SS..Hα-helixtrans-67.3-41.7175.8-175.1-133.4000112.1L152 P153 L171 A172 R173 L178 L179L152-Y175 HydrophobicContact CD2-CD1 3.92Å; L152-Y175 HydrophobicContact CD2-CG 4.49Å; P153-Y175 HydrophobicContact CG-CD2 3.97Å; P153-Y175 HydrophobicContact CG-CE2 4.06Å; P153-Y175 HydrophobicContact CG-CG 4.33Å; L171-Y175 VanDerWaalsContact O-CB 3.27Å; L171-Y175 WeakPolarHBondContact O-CB 3.42Å; L171-Y175 PolarHBondContact O-N 3.39Å; A172-Y175 PolarHBondContact O-N 3.23Å; R173-Y175 VanDerWaalsContact C-N 3.35Å; Y175-L178 PolarHBondContact O-N 3.27Å; Y175-L179 HydrophobicContact CD1-CD1 4.18Å; Y175-L179 HydrophobicContact CD2-CD1 4.32Å; Y175-L179 HydrophobicContact CD2-CG 4.19Å; Y175-L179 HydrophobicContact CE1-CD1 3.85Å; Y175-L179 HydrophobicContact CE2-CD1 3.98Å; Y175-L179 HydrophobicContact CE2-CD2 4.03Å; Y175-L179 HydrophobicContact CE2-CG 3.92Å; Y175-L179 HydrophobicContact CG-CD1 4.42Å; Y175-L179 WeakPolarHBondContact O-CG 3.46Å; Y175-L179 PolarHBondContact O-N 3.31Å
176I97.4Very high95.6Very high107 Ų10763.6 Ų63.655%0.54932%0.322SS..Hα-helixtrans-59.3-49.6172.9-67.6164.5000110.5A172 R173 L178 L179 T180A172-I176 WeakPolarHBondContact O-CG1 3.38Å; A172-I176 PolarHBondContact O-N 2.72Å; R173-I176 PolarHBondContact O-N 2.9Å; I176-L178 VanDerWaalsContact C-N 3.32Å; I176-L178 PolarHBondContact O-N 3.41Å; I176-L179 PolarHBondContact O-N 3.02Å; I176-T180 PolarHBondContact O-N 3.45Å; I176-T180 PolarHBondContact O-OG1 3.23Å
177L95.5Very high95.5Very high63 Ų6364.1 Ų64.133%0.3332%0.322SS..Hα-helixtrans-60.3-39.9179-71172.3000112.8R173 N174 K181R173-L177 HydrophobicContact CG-CD1 4.3Å; R173-L177 WeakPolarHBondContact O-CG 3.48Å; R173-L177 PolarHBondContact O-N 3.32Å; R173-L177 VanDerWaalsContact O-N 3.11Å; N174-L177 PolarHBondContact O-N 3.49Å; L177-K181 WeakPolarHBondContact O-CB 3.37Å; L177-K181 PolarHBondContact O-N 3.29Å
178L95.7Very high95.4Very high44 Ų4469.6 Ų69.623%0.2335%0.346CS..Hα-helixtrans-62.2-50.4175178.263.3000111N174 Y175 I176 T180 K181 T182 F419N174-L178 WeakPolarHBondContact O-CB 3.46Å; N174-L178 PolarHBondContact O-N 3.3Å; Y175-L178 PolarHBondContact O-N 3.27Å; I176-L178 VanDerWaalsContact C-N 3.32Å; I176-L178 PolarHBondContact O-N 3.41Å; L178-T180 PolarHBondContact O-N 3.28Å; L178-K181 PolarHBondContact O-N 3.2Å; L178-T182 PolarHBondContact O-N 3.09Å; L178-T182 PolarHBondContact O-OG1 2.86Å; L178-F419 HydrophobicContact CD2-CE1 4.17Å
179L95.3Very high95.3Very high70 Ų7075.2 Ų75.237%0.36637%0.371SS..Hα-helixtrans-60.3-44.8178.9-70.7174.7000111.9Y175 I176 K181 T182 L183Y175-L179 HydrophobicContact CD1-CD1 4.18Å; Y175-L179 HydrophobicContact CD2-CD1 4.32Å; Y175-L179 HydrophobicContact CD2-CG 4.19Å; Y175-L179 HydrophobicContact CE1-CD1 3.85Å; Y175-L179 HydrophobicContact CE2-CD1 3.98Å; Y175-L179 HydrophobicContact CE2-CD2 4.03Å; Y175-L179 HydrophobicContact CE2-CG 3.92Å; Y175-L179 HydrophobicContact CG-CD1 4.42Å; Y175-L179 WeakPolarHBondContact O-CG 3.46Å; Y175-L179 PolarHBondContact O-N 3.31Å; I176-L179 PolarHBondContact O-N 3.02Å; L179-K181 PolarHBondContact O-N 2.88Å; L179-T182 PolarHBondContact O-N 3.36Å; L179-L183 WeakPolarHBondContact O-CB 3.27Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.37Å; L179-L183 PolarHBondContact O-N 2.93Å
180T95.4Very high95.1Very high71 Ų7176 Ų7644%0.43638%0.375SS..Hα-helixtrans-59.7-45.8175.6-58.70000111.5I176 L178 L183 N184I176-T180 PolarHBondContact O-N 3.45Å; I176-T180 PolarHBondContact O-OG1 3.23Å; L178-T180 PolarHBondContact O-N 3.28Å; T180-L183 PolarHBondContact O-N 3.11Å; T180-N184 VanDerWaalsContact O-CG 3.3Å; T180-N184 PolarHBondContact O-N 3.46Å; T180-N184 VanDerWaalsContact O-N 3.09Å; T180-N184 PolarHBondContact O-OD1 2.85Å
181K95.2Very high94.9Very high103 Ų10377.5 Ų77.545%0.44838%0.383SS..Hα-helixtrans-60.8-47176.6176.3174.3168174.20111.7L177 L178 L179 L183 N184 E185 L421L177-K181 WeakPolarHBondContact O-CB 3.37Å; L177-K181 PolarHBondContact O-N 3.29Å; L178-K181 PolarHBondContact O-N 3.2Å; L179-K181 PolarHBondContact O-N 2.88Å; K181-L183 VanDerWaalsContact C-N 3.34Å; K181-L183 PolarHBondContact O-N 3.08Å; K181-N184 PolarHBondContact O-N 3.41Å; K181-E185 WeakPolarHBondContact CE-OE1 3.26Å; K181-E185 IonicContact NZ-OE1 3.47Å; K181-E185 WeakPolarHBondContact O-CG 3.35Å; K181-E185 PolarHBondContact O-N 2.96Å; K181-L421 HydrophobicContact CD-CD2 4.24Å
182T95.3Very high94.8Very high49 Ų4981.7 Ų81.730%0.30140%0.404SS..Hα-helixtrans-64.4-36.1179.1-60.70000112.4L178 L179 L186L178-T182 PolarHBondContact O-N 3.09Å; L178-T182 PolarHBondContact O-OG1 2.86Å; L179-T182 PolarHBondContact O-N 3.36Å; T182-L186 HydrophobicContact CG2-CD1 3.99Å; T182-L186 HydrophobicContact CG2-CG 4.42Å; T182-L186 WeakPolarHBondContact O-CB 3.36Å; T182-L186 VanDerWaalsContact O-CG 3.23Å; T182-L186 WeakPolarHBondContact O-CG 3.41Å; T182-L186 PolarHBondContact O-N 3.48Å
183L96.1Very high94.4Very high103 Ų10385.6 Ų85.654%0.53942%0.423SS..Hα-helixtrans-63.1-45.9173.9-73.8171000111.5L179 T180 K181 L186 Q187L179-L183 WeakPolarHBondContact O-CB 3.27Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.37Å; L179-L183 PolarHBondContact O-N 2.93Å; T180-L183 PolarHBondContact O-N 3.11Å; K181-L183 VanDerWaalsContact C-N 3.34Å; K181-L183 PolarHBondContact O-N 3.08Å; L183-L186 PolarHBondContact O-N 2.93Å; L183-Q187 WeakPolarHBondContact O-CG 3.26Å; L183-Q187 PolarHBondContact O-N 2.97Å
184N94.4Very high94Very high90 Ų9083.4 Ų83.448%0.48143%0.425SS..Hα-helixtrans-62.2-44.5177.3-63.82.4000111.9T180 K181 L186 Q187 E188T180-N184 VanDerWaalsContact O-CG 3.3Å; T180-N184 PolarHBondContact O-N 3.46Å; T180-N184 VanDerWaalsContact O-N 3.09Å; T180-N184 PolarHBondContact O-OD1 2.85Å; K181-N184 PolarHBondContact O-N 3.41Å; N184-L186 VanDerWaalsContact C-N 3.27Å; N184-L186 PolarHBondContact O-N 3Å; N184-Q187 PolarHBondContact O-N 3.11Å; N184-E188 PolarHBondContact O-N 3.45Å
185E93.9Very high93.3Very high70 Ų7088.6 Ų88.633%0.32745%0.449SS..Hα-helixtrans-63.6-30.4176.3-73178.7178.100113.1K181 K189K181-E185 WeakPolarHBondContact CE-OE1 3.26Å; K181-E185 IonicContact NZ-OE1 3.47Å; K181-E185 WeakPolarHBondContact O-CG 3.35Å; K181-E185 PolarHBondContact O-N 2.96Å; E185-K189 WeakPolarHBondContact O-CD 3.44Å; E185-K189 VanDerWaalsContact O-CG 3.26Å; E185-K189 WeakPolarHBondContact O-CG 3.48Å; E185-K189 PolarHBondContact O-N 2.94Å
186L95.1Very high92.1Very high89 Ų8987.9 Ų87.947%0.46645%0.454SS..Hα-helixtrans-78.5-35175.4-73.1172.2000111.9T182 L183 N184 L190T182-L186 HydrophobicContact CG2-CD1 3.99Å; T182-L186 HydrophobicContact CG2-CG 4.42Å; T182-L186 WeakPolarHBondContact O-CB 3.36Å; T182-L186 VanDerWaalsContact O-CG 3.23Å; T182-L186 WeakPolarHBondContact O-CG 3.41Å; T182-L186 PolarHBondContact O-N 3.48Å; L183-L186 PolarHBondContact O-N 2.93Å; N184-L186 VanDerWaalsContact C-N 3.27Å; N184-L186 PolarHBondContact O-N 3Å; L186-L190 WeakPolarHBondContact O-CB 3.33Å; L186-L190 PolarHBondContact O-N 3.46Å
187Q94.3Very high90.3Very high112 Ų11288.9 Ų88.952%0.52346%0.456SS..Hα-helixtrans-63.4-50172.1-74.7172.4-37.700110.9L183 N184 K189 L190 D191L183-Q187 WeakPolarHBondContact O-CG 3.26Å; L183-Q187 PolarHBondContact O-N 2.97Å; N184-Q187 PolarHBondContact O-N 3.11Å; Q187-K189 VanDerWaalsContact C-N 3.29Å; Q187-K189 PolarHBondContact O-N 3.37Å; Q187-L190 CarbonylContact O-C 3.58Å; Q187-L190 WeakPolarHBondContact O-CA 3.41Å; Q187-L190 WeakPolarHBondContact O-CB 3.4Å; Q187-L190 PolarHBondContact O-N 2.95Å; Q187-D191 PolarHBondContact O-N 3.37Å
188E92.8Very high88.5Confident122 Ų12290.2 Ų90.257%0.5747%0.471SS*.Hα-helixtrans-54.2-44.9176-175.6-173.3167.800111.9N184 D191 I192N184-E188 PolarHBondContact O-N 3.45Å; E188-D191 PolarHBondContact O-N 3.37Å; E188-I192 HydrophobicContact CG-CD1 4.17Å; E188-I192 WeakPolarHBondContact O-CD1 3.3Å; E188-I192 VanDerWaalsContact O-CG1 3.26Å; E188-I192 WeakPolarHBondContact O-CG1 3.41Å; E188-I192 PolarHBondContact O-N 2.98Å
189K92.7Very high86.5Confident118 Ų11893.5 Ų93.551%0.51349%0.492SS..Hα-helixtrans-65.1-38.3175.8-73.4168.3-173166.60112.7E185 Q187 I193E185-K189 WeakPolarHBondContact O-CD 3.44Å; E185-K189 VanDerWaalsContact O-CG 3.26Å; E185-K189 WeakPolarHBondContact O-CG 3.48Å; E185-K189 PolarHBondContact O-N 2.94Å; Q187-K189 VanDerWaalsContact C-N 3.29Å; Q187-K189 PolarHBondContact O-N 3.37Å; K189-I193 WeakPolarHBondContact O-CB 3.45Å; K189-I193 WeakPolarHBondContact O-CD1 3.41Å; K189-I193 VanDerWaalsContact O-CG1 3.22Å; K189-I193 WeakPolarHBondContact O-CG1 3.48Å; K189-I193 PolarHBondContact O-N 2.83Å
190L93.5Very high84.1Confident107 Ų10799.3 Ų99.356%0.5651%0.511SS*.Hα-helixtrans-69.1-36.5177.5-175.4142.3000111.7L186 Q187 I193 S194L186-L190 WeakPolarHBondContact O-CB 3.33Å; L186-L190 PolarHBondContact O-N 3.46Å; Q187-L190 CarbonylContact O-C 3.58Å; Q187-L190 WeakPolarHBondContact O-CA 3.41Å; Q187-L190 WeakPolarHBondContact O-CB 3.4Å; Q187-L190 PolarHBondContact O-N 2.95Å; L190-I193 PolarHBondContact O-N 3.48Å; L190-S194 VanDerWaalsContact O-CB 3.32Å; L190-S194 WeakPolarHBondContact O-CB 3.21Å; L190-S194 PolarHBondContact O-N 2.93Å; L190-S194 PolarHBondContact O-OG 3.19Å
191D91Very high81.8Confident85 Ų85103.3 Ų103.346%0.45552%0.524SS..Hα-helixtrans-66.2-43.5174.3-67.4-25.1000111.3Q187 E188 S194 Q195Q187-D191 PolarHBondContact O-N 3.37Å; E188-D191 PolarHBondContact O-N 3.37Å; D191-S194 PolarHBondContact O-N 3.2Å; D191-Q195 WeakPolarHBondContact O-CB 3.45Å; D191-Q195 VanDerWaalsContact O-CG 3.3Å; D191-Q195 WeakPolarHBondContact O-CG 3.45Å; D191-Q195 PolarHBondContact O-N 3.34Å; D191-Q195 PolarHBondContact O-NE2 3.01Å
192I91.2Very high79.4Confident98 Ų98107.5 Ų107.550%0.50354%0.538SS..Hα-helixtrans-60.5-45.8174.2-68.7163.3000110.9E188 Q195 S196E188-I192 HydrophobicContact CG-CD1 4.17Å; E188-I192 WeakPolarHBondContact O-CD1 3.3Å; E188-I192 VanDerWaalsContact O-CG1 3.26Å; E188-I192 WeakPolarHBondContact O-CG1 3.41Å; E188-I192 PolarHBondContact O-N 2.98Å; I192-Q195 PolarHBondContact O-N 3.21Å; I192-S196 WeakPolarHBondContact O-CB 3.42Å; I192-S196 PolarHBondContact O-N 3.21Å
193I89.5Confident76.9Confident92 Ų92113.6 Ų113.647%0.47256%0.564SS.*Hα-helixtrans-62-45.8176.9-71.2164.8000110.4K189 L190 Q195 S196 H197K189-I193 WeakPolarHBondContact O-CB 3.45Å; K189-I193 WeakPolarHBondContact O-CD1 3.41Å; K189-I193 VanDerWaalsContact O-CG1 3.22Å; K189-I193 WeakPolarHBondContact O-CG1 3.48Å; K189-I193 PolarHBondContact O-N 2.83Å; L190-I193 PolarHBondContact O-N 3.48Å; I193-Q195 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 2.94Å; I193-S196 PolarHBondContact O-N 2.92Å; I193-S196 VanDerWaalsContact O-N 3.14Å; I193-S196 PolarHBondContact O-OG 3.4Å; I193-H197 PolarHBondContact O-CD2 3.49Å; I193-H197 PolarHBondContact O-N 3.3Å
194S87.4Confident74.3Confident67 Ų67114 Ų11447%0.46958%0.575SS.*Hα-helixtrans-62-40.1-180-58.60000112.4L190 D191L190-S194 VanDerWaalsContact O-CB 3.32Å; L190-S194 WeakPolarHBondContact O-CB 3.21Å; L190-S194 PolarHBondContact O-N 2.93Å; L190-S194 PolarHBondContact O-OG 3.19Å; D191-S194 PolarHBondContact O-N 3.2Å
195Q80.9Confident72.5Confident131 Ų131116.6 Ų116.661%0.61259%0.587SS**Hα-helixtrans-69.9-34.4174.1-70.7170.758.200112.6D191 I192 I193 H197 S198 T199D191-Q195 WeakPolarHBondContact O-CB 3.45Å; D191-Q195 VanDerWaalsContact O-CG 3.3Å; D191-Q195 WeakPolarHBondContact O-CG 3.45Å; D191-Q195 PolarHBondContact O-N 3.34Å; D191-Q195 PolarHBondContact O-NE2 3.01Å; I192-Q195 PolarHBondContact O-N 3.21Å; I193-Q195 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 2.94Å; Q195-H197 VanDerWaalsContact C-N 3.29Å; Q195-H197 PolarHBondContact O-N 3.09Å; Q195-S198 PolarHBondContact O-N 3.46Å; Q195-S198 PolarHBondContact O-OG 2.92Å; Q195-T199 PolarHBondContact O-OG1 2.92Å
196S71.1Confident70.3Confident54 Ų54121.3 Ų121.338%0.37861%0.607SS.*Hα-helixtrans-66.7-30.6178770000112.9I192 I193I192-S196 WeakPolarHBondContact O-CB 3.42Å; I192-S196 PolarHBondContact O-N 3.21Å; I193-S196 PolarHBondContact O-N 2.92Å; I193-S196 VanDerWaalsContact O-N 3.14Å; I193-S196 PolarHBondContact O-OG 3.4Å
197H60.6Low67.8Low129 Ų129122.8 Ų122.860%0.59762%0.622SS**Hα-helixtrans-77.2-21.4-179-72.6-53.7000114.7I193 Q195 T199I193-H197 PolarHBondContact O-CD2 3.49Å; I193-H197 PolarHBondContact O-N 3.3Å; Q195-H197 VanDerWaalsContact C-N 3.29Å; Q195-H197 PolarHBondContact O-N 3.09Å; H197-T199 VanDerWaalsContact C-N 3.34Å
198S58.1Low65.7Low91 Ų91122.5 Ų122.564%0.63663%0.628SS**THydrogen-bonded Turntrans-82.5-9.6176.459.50000114.1Q195Q195-S198 PolarHBondContact O-N 3.46Å; Q195-S198 PolarHBondContact O-OG 2.92Å
199T53Low63.5Low112 Ų112124 Ų12469%0.68764%0.638SS**  trans-96.8-2.1-173.5-480000113.5Q195 H197 H201Q195-T199 PolarHBondContact O-OG1 2.92Å; H197-T199 VanDerWaalsContact C-N 3.34Å; T199-H201 PolarHBondContact O-N 2.92Å
200Y44.9Very low61.4Low193 Ų193123.9 Ų123.976%0.75765%0.649SS**  trans-7869.3168.3-66.1-70.4000111.3Y202Y200-Y202 PolarHBondContact O-N 2.96Å
201H47.5Very low59.1Low155 Ų155123.1 Ų123.172%0.71866%0.659SS**  trans-63.7129.7164.9-127.4-78.1000108.9T199 E203T199-H201 PolarHBondContact O-N 2.92Å; H201-E203 PolarHBondContact O-N 3.37Å
202Y43.3Very low56.9Low190 Ų190128.3 Ų128.375%0.74568%0.68SS**  trans-7490.9-174.555.6-78.4000110.8Y200 S204Y200-Y202 PolarHBondContact O-N 2.96Å; Y202-S204 PolarHBondContact O-N 3.08Å
203E42.7Very low54.9Low177 Ų177134.2 Ų134.283%0.82770%0.698SS**  trans-73.7100.5163.9-108.7-170.7167.900109.6H201 I205H201-E203 PolarHBondContact O-N 3.37Å; E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.47Å
204S42.4Very low53Low112 Ų112134.6 Ų134.678%0.78371%0.707SS**  trans-7278.3-177.8-171.10000111.3Y202 K206Y202-S204 PolarHBondContact O-N 3.08Å; S204-K206 PolarHBondContact O-N 3.15Å
205I57.1Low50.8Low144 Ų144140.1 Ų140.174%0.73873%0.725SS**  trans-82.297.5173.8-57.6-177.5000109.4E203 P207E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.47Å; I205-P207 WeakPolarHBondContact O-CD 3.42Å
206K47.1Very low48.9Very low169 Ų169139 Ų13974%0.73573%0.732SS**  trans-65.1115.5175178.8-174.7179.7-176.30111.5S204 T208S204-K206 PolarHBondContact O-N 3.15Å; K206-T208 PolarHBondContact O-N 2.85Å
207P43.6Very low47.6Very low121 Ų121142.4 Ų142.479%0.78675%0.75SS**  trans-82.1104.7176.731.5-30.8000110.6I205I205-P207 WeakPolarHBondContact O-CD 3.42Å
208T49.8Very low46.8Very low105 Ų105142.2 Ų142.264%0.64476%0.758SS**  trans-98.2118.2168.6-53.40000109.3K206K206-T208 PolarHBondContact O-N 2.85Å
209I46.9Very low46.2Very low154 Ų154143.5 Ų143.579%0.7977%0.767SS**  trans-82.4134.8173.8-59161.3000108.9
210P47.3Very low45.7Very low115 Ų115145.5 Ų145.575%0.74777%0.774SS**  trans-119.6137.3139.61.119.9000110.8
211A45.6Very low45.7Very low92 Ų92143.4 Ų143.476%0.7678%0.775SS**  trans-76.4153.9167.100000110.6
212E45.8Very low45.6Very low194 Ų194140.5 Ų140.591%0.90777%0.773SS**  166.1146125.2-165.1143.5-141.600110.9
213Y49.1Very low45.8Very low221 Ų221138.6 Ų138.687%0.86777%0.772SS**  trans-105.3-178.3-175.3-78.2-97000110.1
214P49Very low46Very low101 Ų101137.8 Ų137.866%0.65677%0.766SS**  -140.4178.6-61.643.9-27.6000115.1
215Q40.5Very low46.3Very low182 Ų182142.4 Ų142.485%0.8577%0.768SS**  trans75.1115.3140.1-148.7172.713.500122.7
216S41Very low45.8Very low109 Ų109143.8 Ų143.876%0.76278%0.776SS**  trans160.8150.8143.544.20000109.4
217T43.5Very low45.5Very low124 Ų124141 Ų14176%0.76178%0.775SS**  cis-158.9139.6-19.320.50000108.6
218V43.8Very low45.4Very low125 Ų125143.3 Ų143.376%0.75878%0.779SS**  trans37.2119.7147-167.30000120.4
219S45.4Very low45Very low118 Ų118144.4 Ų144.483%0.82579%0.785SS**  -173.3147.4124.6-810000112.3
220N44.2Very low44.6Very low155 Ų155142.5 Ų142.583%0.82979%0.785SS**  trans-91.5148.1-174.4-48.1-54.3000111.6
221D43.4Very low44.3Very low148 Ų148142.4 Ų142.479%0.79179%0.787SS**  -164137.3113-134.3-18.6000116
222S45.6Very low44.1Very low95 Ų95144.2 Ų144.266%0.66479%0.789SS**  trans25.2124.1144.2-63.80000125.1
223M48.4Very low43.9Very low150 Ų150142.7 Ų142.774%0.73979%0.787SS**  89.1100.7130-64.3-72.4-92.400121.9
224K46.4Very low43.6Very low159 Ų159137 Ų13769%0.69178%0.78SS**  25.9122.7127.6-56.6173.9-177.7175.20116.3
225Y48.8Very low43.3Very low210 Ų210137.2 Ų137.282%0.82478%0.783SS**  -161.8137.262.9-87.9-88.5000110.9
226L47.5Very low43.4Very low173 Ų173135.9 Ų135.991%0.90678%0.781SS**  trans-125.9132.8166.2-66.3180000110.1
227P40.8Very low43.7Very low111 Ų111140.1 Ų140.172%0.72179%0.786SS**  trans-87.5144.5153.535.1-29000109.5
228I41.1Very low43.4Very low169 Ų169139 Ų13987%0.86778%0.781SS**  trans-176.9161.2150-100.9153.2000111.1
229V40.4Very low43.4Very low127 Ų127140.8 Ų140.877%0.7779%0.785SS**  trans-71.9173.6-166-66.40000116.7
230S39Very low43.4Very low114 Ų114139.6 Ų139.680%0.79778%0.777SS**  trans95.4118160.278.60000118.3
231S40.1Very low43.8Very low113 Ų113138.1 Ų138.179%0.7978%0.776SS**  trans-146.799.4153.649.10000109.2
232V42.1Very low44.6Very low131 Ų131137.1 Ų137.179%0.79478%0.777SS**  trans-98.5106.2166.4-80.80000108.3S234V232-S234 PolarHBondContact O-N 3.35Å
233N42.5Very low44.3Very low162 Ų162139.1 Ų139.187%0.86679%0.786SS**  trans-9092.2174.2-84.110.4000110.3
234S42.7Very low44.1Very low102 Ų102140.7 Ų140.771%0.71380%0.797SS**  trans-78.7115.7166-600000110.3V232V232-S234 PolarHBondContact O-N 3.35Å
235S41.8Very low43.7Very low104 Ų104138.4 Ų138.473%0.72780%0.801SS**  trans-100.689.7166.461.50000110.4
236L43.4Very low43.2Very low155 Ų155134 Ų13481%0.81280%0.8SS**  trans-69.8132.3164.8-95.166.6000109.9
237F46Very low42.8Very low198 Ų198130.9 Ų130.987%0.86879%0.793SS**  trans-116.9131.4158-85.9-77.5000109
238P37.2Very low42.9Very low100 Ų100132.4 Ų132.465%0.64980%0.8SS**  trans-107.6166.5-177.231.6-18.5000114.3
239L43.8Very low42.9Very low162 Ų162129 Ų12985%0.84880%0.797SS**  trans68.1148.4169.2-50117.2000115.5
240S46Very low42.8Very low94 Ų94132.4 Ų132.466%0.65780%0.802SS**  cis-171.6148.6-15.544.80000107.9
241P52.1Low42.7Very low123 Ų123132.3 Ų132.380%0.79980%0.801SS**PPolyproline II helixtrans-87.8136.6-176.433.5-33000113.3
242P61.4Low42.8Very low127 Ų127133.1 Ų133.183%0.82580%0.801SS**PPolyproline II helixtrans-86.7129.4170.932.7-31.3000111.9
243T38.6Very low42.6Very low138 Ų138131.5 Ų131.585%0.84780%0.801SS**PPolyproline II helixtrans-90.2131.8166.441.40000110.3
244L45.1Very low43Very low183 Ų183131.6 Ų131.696%0.95880%0.8SS**  trans-136.9146.6160.5-78.9179.9000110.3
245S36.8Very low42.9Very low111 Ų111131.6 Ų131.678%0.77680%0.8SS**  trans-126.7166.3-164.3-175.50000111.3
246S38.7Very low42.7Very low116 Ų116132.8 Ų132.881%0.81181%0.805SS**  trans70151.9-179.3830000115.2
247S39.2Very low42.3Very low108 Ų108131.4 Ų131.476%0.75581%0.808SS**  cis-145.5155.514.560.30000114.9
248V42.4Very low41.8Very low143 Ų143126.9 Ų126.987%0.86780%0.801SS**  trans-46.6142.8176.2-77.70000118.7
249A41.4Very low41.8Very low98 Ų98127.2 Ų127.281%0.8181%0.805SS**  trans-164.299.6138.900000115.2
250K38.8Very low41.4Very low199 Ų199125.4 Ų125.487%0.86580%0.801SS**  trans41.2122.4140.6-67.2175.8177.11750123.1
251S37.2Very low40.8Very low112 Ų112125.7 Ų125.778%0.78380%0.803SS**  58.7140.6130-50.70000120
252T41.9Very low40.1Very low129 Ų129130 Ų13079%0.79181%0.81SS**  cis-147.8144.537.5-66.40000111.9
253A38.8Very low39.3Very low97 Ų97131 Ų13180%0.80281%0.807SS**  trans-96.9138.3176.700000112.2
254I49.2Very low39.2Very low165 Ų165134.8 Ų134.885%0.84681%0.807SS**  trans-136.8143.4156.6-55.1-178.2000107.8
255S42.1Very low39.3Very low101 Ų101131.4 Ų131.471%0.70680%0.796SS**  trans-81.4160.1-162.345.70000116
256P37.1Very low39.2Very low129 Ų129132.2 Ų132.284%0.83880%0.796SS**  trans-86.2140.8159.434.9-30.2000110.7
257C34.6Very low39.3Very low127 Ų127132.2 Ų132.286%0.85880%0.796SS**  trans-140.2145.1166.4-168.60000110
258S35.5Very low39.4Very low103 Ų103132.5 Ų132.572%0.7279%0.793SS**  trans-100.5165.9-169.1-55.10000113
259S36.5Very low39.1Very low106 Ų106131.8 Ų131.874%0.74179%0.789SS**  trans94151.4142.9-51.80000120.7
260T36Very low39Very low124 Ų124133.2 Ų133.276%0.76179%0.793SS**  trans74.1103.3159.965.80000120.9
261S32.7Very low38.9Very low101 Ų101130.9 Ų130.971%0.70679%0.789SS**  trans50108.5131.561.70000120.3
262F39.1Very low38.9Very low213 Ų213133.3 Ų133.393%0.93479%0.792SS**  trans-91.3111.3154.5-75.5-76.2000110.9
263I44.6Very low38.5Very low149 Ų149134.9 Ų134.976%0.76479%0.79SS**PPolyproline II helixtrans-79.8137.4162.8-67.6173.5000107.8P265I263-P265 WeakPolarHBondContact O-CD 3.34Å
264Y35.1Very low38.3Very low217 Ų217135.1 Ų135.185%0.85179%0.786SS**PPolyproline II helixtrans-71.2131.3174.3-70.1-94.9000111.4
265P47Very low37.6Very low112 Ų112133.1 Ų133.173%0.72778%0.781SS**PPolyproline II helixtrans-91.6120.1153.632.1-26000109.8I263I263-P265 WeakPolarHBondContact O-CD 3.34Å
266V36.2Very low37.4Very low127 Ų127134 Ų13477%0.7778%0.783SS**PPolyproline II helixtrans-72.1131.5162.9165.70000108.2T268V266-T268 HydrophobicContact CG1-CG2 4.12Å
267S39.7Very low37.4Very low117 Ų117135.9 Ų135.982%0.81879%0.786SS**  trans-107.899.7173.4-57.90000110.5
268T41.5Very low37.4Very low113 Ų113135 Ų13569%0.69378%0.781SS**  trans-90.3117.3168.244.60000110.6V266V266-T268 HydrophobicContact CG1-CG2 4.12Å
269T35.6Very low37.5Very low129 Ų129135.5 Ų135.579%0.79179%0.785SS**  trans29.4115.4140.355.70000119
270S40.9Very low37.4Very low127 Ų127138.4 Ų138.489%0.88879%0.791SS**  trans-131.1116.5147.9-70.20000109.4
271I36Very low37.3Very low150 Ų150142 Ų14277%0.76980%0.796SS**  trans-74.5139.5172.6-67.6167.5000108.4
272L36.9Very low37.5Very low163 Ų163144.5 Ų144.585%0.85380%0.801SS**  trans-162.1134.2140.5-107.5164.4000111.1
273Q34.1Very low37.4Very low163 Ų163139.2 Ų139.276%0.76279%0.788SS**  trans-71.5155.2176.5-65.5145.7-84.700110.9
274S33.2Very low37Very low102 Ų102137.3 Ų137.371%0.71379%0.788SS**  172.9135.799.754.30000115.1
275V34.6Very low36.8Very low122 Ų122135 Ų13574%0.73979%0.785SS**  trans51.5147.7145.7-56.20000124.2
276T37.8Very low36.2Very low120 Ų120137.1 Ų137.174%0.73679%0.79SS**  trans79110.7161.768.30000118.5
277N37.1Very low36.1Very low169 Ų169137.5 Ų137.590%0.90478%0.783SS**  -152.5112.8127.9-98.4-39.3000109.4
278S35.6Very low35.7Very low108 Ų108140 Ų14076%0.75578%0.776SS**  trans-108.3165.2170.9-59.90000108.8
279S38Very low35.3Very low114 Ų114142.4 Ų142.480%0.79778%0.777SS**  trans93.8108.5-167.674.10000112
280L33.1Very low35.3Very low167 Ų167143.6 Ų143.687%0.87478%0.778SS**  cis58.187.535.3-69.9168.5000114
281F33.4Very low34.9Very low198 Ų198145.2 Ų145.287%0.86878%0.777SS**  trans-156.8117.5132.1-135.6-102.4000112.5
282L37.5Very low34.9Very low155 Ų155143.9 Ų143.981%0.81278%0.781SS**  trans-103.6164150.5-123.974.9000105.6
283P38.2Very low34.7Very low102 Ų102145.6 Ų145.666%0.66279%0.785SS**  cis-135-158.448.235.1-11.1000110.9
284S35.5Very low34.9Very low109 Ų109146.5 Ų146.576%0.76279%0.789SS**  cis-146.7165.411-68.60000112.4
285E30.6Very low34.7Very low169 Ų169148.3 Ų148.379%0.7980%0.796SS**  trans-79.7156.1161.3-63.4166.4111.700112.5
286N35.2Very low34.7Very low155 Ų155147.5 Ų147.583%0.82980%0.795SS**  166.5148.6128.9-87.1-32.5000109.4
287Q32.4Very low34.4Very low135 Ų135150.8 Ų150.863%0.63180%0.802SS**  cis170.6146.5-24.8-109-70.629.100104.2
288Y32.8Very low34.4Very low170 Ų170150.7 Ų150.767%0.66780%0.8SS**  trans58117.9164.3-79.6-82.7000123.3
289K32.6Very low34.1Very low164 Ų164150.5 Ų150.571%0.71380%0.799SS**  trans25.2134.1131.1-56.5-178.6-170.4171.20120
290D36.5Very low34Very low153 Ų153153.3 Ų153.382%0.81880%0.801SS**  -166.215990.9-101.6-26.8000113.3
291N30.9Very low34.1Very low162 Ų162150.5 Ų150.587%0.86679%0.793SS**  trans-92.8134.8178.6-61.8-39.8000110.7
292S37Very low33.9Very low121 Ų121147.9 Ų147.985%0.84679%0.787SS**  trans-159.6128145.440.20000111
293E33.2Very low33.9Very low199 Ų199149.5 Ų149.593%0.9379%0.79SS**  trans-77.1131.8166.8-63.7176.2132.200108.5
294Q36.7Very low33.6Very low183 Ų183150.3 Ų150.386%0.85579%0.789SS**  trans-139.8102.6157.8-159.8156.574.200110.1
295T30.2Very low34Very low139 Ų139151.9 Ų151.985%0.85379%0.794SS**  trans-58.8131.7167.7260000110.2
296S35.2Very low34.1Very low105 Ų105149.5 Ų149.573%0.73479%0.787SS**  trans-141.4105.9163.2-730000109
297Q31.7Very low34.2Very low189 Ų189150 Ų15088%0.88379%0.789SS**  trans-72.9128.5170.5-66175.3-15.600108.9
298I36.1Very low34.4Very low167 Ų167152.4 Ų152.486%0.85680%0.798SS**  trans-132.5109.7155.1-63.6-175.8000107.8
299S29.1Very low34.3Very low104 Ų104152 Ų15273%0.72781%0.806SS**  trans-94.7164.1166-68.20000110.1
300M35.8Very low34Very low173 Ų173151 Ų15185%0.85281%0.808SS**  trans120.8148.6163.8-65.8-98.694.600113.1
301P36Very low33.7Very low108 Ų108150.2 Ų150.270%0.70180%0.803SS**  cis-135.9-173.7-45.138.1-21.4000113.3
302I28.9Very low33.5Very low144 Ų144148.1 Ų148.174%0.73880%0.795SS**  trans-58.8147.9178.7-62.7148.7000113.4
303Q38.1Very low33.2Very low189 Ų189146.8 Ų146.888%0.88379%0.786SS**  trans-134.8119.9153.2-151.686.321.600110.3
304D31.7Very low32.8Very low118 Ų118145.2 Ų145.263%0.63178%0.784SS**  trans-68.6146.1174.5-95.2-56.4000112.6N306D304-N306 PolarHBondContact OD1-ND2 3.08Å
305V44Very low32.6Very low143 Ų143140.7 Ų140.787%0.86777%0.773SS**  trans-136.6105.7138.4-1710000108.3
306N33Very low32.3Very low119 Ų119139 Ų13964%0.63677%0.766SS**  trans-80.6136.5171-77.7-90.5000109.4D304D304-N306 PolarHBondContact OD1-ND2 3.08Å
307D36.7Very low32.1Very low164 Ų164141 Ų14188%0.87777%0.766SS**  trans-134.1136.9149.9-112.5-33.9000111.4
308K36.1Very low31.9Very low187 Ų187141.1 Ų141.181%0.81376%0.76SS**  trans-92.9144.7-164.1-59.4169.6-179.6175.60110.5
309L30.5Very low31.9Very low161 Ų161138.9 Ų138.984%0.84376%0.757SS**  -162.8114.6123.4-106.3170.2000110.8
310N26.7Very low32Very low142 Ų142140 Ų14076%0.75976%0.759SS**  trans-97.6112.6176.8-179.613.5000108.4
311I30.2Very low31.8Very low138 Ų138140.9 Ų140.971%0.70876%0.758SS**  trans-128.8109166.4-61.4-176.9000108.8
312V27.1Very low31.7Very low117 Ų117144.8 Ų144.871%0.70976%0.764SS**  trans-65.9124.8168.9172.70000109.4
313S30.1Very low32Very low94 Ų94143.1 Ų143.166%0.65776%0.763SS**  trans-148.899.4165.2-78.70000110.6S315S313-S315 PolarHBondContact O-N 3.45Å
314N25.3Very low31.6Very low166 Ų166139.5 Ų139.589%0.88875%0.749SS**  trans-72.9109.8162.4-76.9-26.3000108.8
315S31.3Very low31.6Very low87 Ų87140.8 Ų140.861%0.60875%0.749SS**  trans-152.3117.216535.70000112.2S313 I317S313-S315 PolarHBondContact O-N 3.45Å; S315-I317 PolarHBondContact O-N 3.19Å
316C24.3Very low31Very low104 Ų104139.3 Ų139.370%0.70374%0.743SS**  trans-57.4126.5164.2175.50000109.6
317I32Very low30.9Very low147 Ų147143.1 Ų143.175%0.75475%0.754SS**  trans-130.7104.4170.2-58.7-178.5000108.2S315S315-I317 PolarHBondContact O-N 3.19Å
318Y26.4Very low30.7Very low192 Ų192139.8 Ų139.875%0.75374%0.736SS**  trans-56.6144.5169-68-92.3000110.6T320Y318-T320 PolarHBondContact O-N 2.92Å
319P37.2Very low30.5Very low120 Ų120135.1 Ų135.178%0.77972%0.719SS**  trans-67.8105.4170.628.5-32.3000109.2F321P319-F321 PolarHBondContact O-N 3.12Å
320T29.9Very low30.9Very low126 Ų126131.7 Ų131.777%0.77371%0.707SS**  trans-47.3125.2171.4-55.60000110.2Y318 K322Y318-T320 PolarHBondContact O-N 2.92Å; T320-K322 PolarHBondContact O-N 2.96Å
321F31.3Very low31.4Very low192 Ų192130.1 Ų130.184%0.84270%0.698SS**  trans-52.2110.2171.4-84.2-96.8000109.3P319P319-F321 PolarHBondContact O-N 3.12Å
322K34.1Very low31.6Very low190 Ų190128.6 Ų128.683%0.82669%0.691SS**PPolyproline II helixtrans-62.3128.8160.1-76.4-176.4176.6179.60106.7T320 L324T320-K322 PolarHBondContact O-N 2.96Å; K322-L324 PolarHBondContact O-N 3.46Å
323P35.7Very low31.9Very low110 Ų110127.2 Ų127.271%0.71468%0.678SS**PPolyproline II helixtrans-58.3135.117823.3-32.3000109.6
324L30.6Very low32.2Very low113 Ų113127.9 Ų127.959%0.59267%0.674SS**SBendtrans-52.6149.9160.3-8864.4000108.4K322K322-L324 PolarHBondContact O-N 3.46Å
325F31.2Very low32.6Very low144 Ų144125.3 Ų125.363%0.63266%0.66SS**  trans75.489.2176-39.2-67.2000116.9L328F325-L328 HydrophobicContact CD1-CD1 3.59Å; F325-L328 HydrophobicContact CD1-CG 4.4Å; F325-L328 HydrophobicContact CE1-CD1 3.85Å; F325-L328 HydrophobicContact CG-CD1 4.5Å
326P30.7Very low32.9Very low112 Ų112126.1 Ų126.173%0.72766%0.657SS**SBendtrans-115.36.1144-7.227.4000115.4
327F32.1Very low33.4Very low200 Ų200125.7 Ų125.788%0.87765%0.648SS**  trans-12915.4-169.9-81.1-75.3000116.7N329F327-N329 PolarHBondContact O-N 2.88Å
328L32Very low33.6Very low94 Ų94123.8 Ų123.849%0.49264%0.64SS.*  trans-85.7106.2164.4-79.1168000109.3F325F325-L328 HydrophobicContact CD1-CD1 3.59Å; F325-L328 HydrophobicContact CD1-CG 4.4Å; F325-L328 HydrophobicContact CE1-CD1 3.85Å; F325-L328 HydrophobicContact CG-CD1 4.5Å
329N32.4Very low34Very low88 Ų88118.7 Ų118.747%0.47163%0.628SS.*  trans-58.9122.2174.4-174.9-22.2000109F327 N331 L332F327-N329 PolarHBondContact O-N 2.88Å; N329-N331 PolarHBondContact O-N 3.5Å; N329-N331 PolarHBondContact OD1-N 3.12Å; N329-N331 PolarHBondContact OD1-ND2 3.22Å; N329-L332 PolarHBondContact O-N 3.19Å
330P38.5Very low34Very low89 Ų89117.9 Ų117.958%0.57862%0.616SS**Hα-helixtrans-60-20.4-172.222.1-33.4000113.6L332 M333P330-L332 VanDerWaalsContact C-N 3.27Å; P330-L332 PolarHBondContact O-N 3.01Å; P330-M333 PolarHBondContact O-N 3.32Å
331N36.6Very low34.4Very low109 Ų109117.4 Ų117.458%0.58361%0.608SS**Hα-helixtrans-71.5-14.4176-59.7-69.2000114.3N329N329-N331 PolarHBondContact O-N 3.5Å; N329-N331 PolarHBondContact OD1-N 3.12Å; N329-N331 PolarHBondContact OD1-ND2 3.22Å
332L35.7Very low34.7Very low106 Ų106114.1 Ų114.156%0.55560%0.599SS**Hα-helixtrans-80.9-33.3172.3-100.868.5000112.6N329 P330 N334 N335N329-L332 PolarHBondContact O-N 3.19Å; P330-L332 VanDerWaalsContact C-N 3.27Å; P330-L332 PolarHBondContact O-N 3.01Å; L332-N334 VanDerWaalsContact C-N 3.29Å; L332-N334 PolarHBondContact O-N 3.35Å; L332-N335 PolarHBondContact O-N 3.47Å
333M32.6Very low34.7Very low88 Ų88110.6 Ų110.643%0.43359%0.589SS.*Hα-helixtrans-61.9-37.8-178.5-118.187.484.100112.1P330 N335 L336P330-M333 PolarHBondContact O-N 3.32Å; M333-N335 VanDerWaalsContact C-N 3.27Å; M333-N335 PolarHBondContact O-N 3.47Å; M333-L336 PolarHBondContact O-N 3Å
334N37.1Very low34.8Very low108 Ų108111.8 Ų111.858%0.57859%0.589SS**Hα-helixtrans-72.1-16-176.2-68.3-5.6000114.2L332 N338L332-N334 VanDerWaalsContact C-N 3.29Å; L332-N334 PolarHBondContact O-N 3.35Å; N334-N338 PolarHBondContact O-ND2 3.28Å
335N33.8Very low35.1Very low112 Ų112113.5 Ų113.560%0.59960%0.599SS**Hα-helixtrans-86.8-34.9174.7-85.8-62.8000112.5L332 M333 N337 N338 T339L332-N335 PolarHBondContact O-N 3.47Å; M333-N335 VanDerWaalsContact C-N 3.27Å; M333-N335 PolarHBondContact O-N 3.47Å; N335-N337 VanDerWaalsContact C-N 3.34Å; N335-N337 PolarHBondContact O-N 2.97Å; N335-N338 PolarHBondContact O-N 2.89Å; N335-T339 PolarHBondContact O-N 2.91Å; N335-T339 PolarHBondContact O-OG1 3.44Å
336L36Very low35.4Very low104 Ų104113.3 Ų113.355%0.54560%0.603SS.*Hα-helixtrans-64.9-37.9179.7-71.2165.1000112.2M333 N338 T339 I340M333-L336 PolarHBondContact O-N 3Å; L336-N338 PolarHBondContact O-N 3.33Å; L336-T339 PolarHBondContact O-N 3.22Å; L336-I340 WeakPolarHBondContact O-CG1 3.29Å; L336-I340 PolarHBondContact O-N 2.9Å
337N35.2Very low35.4Very low95 Ų95112.9 Ų112.951%0.50860%0.603SS.*Hα-helixtrans-65.2-22.2179.2-65.2-9.7000113.5N335 I341N335-N337 VanDerWaalsContact C-N 3.34Å; N335-N337 PolarHBondContact O-N 2.97Å; N337-I341 WeakPolarHBondContact O-CD1 3.5Å; N337-I341 WeakPolarHBondContact O-CG1 3.48Å
338N36.2Very low35.5Very low108 Ų108110.8 Ų110.858%0.57860%0.601SS**Hα-helixtrans-89.9-25.4177.8-67-16.6000112.7N334 N335 L336N334-N338 PolarHBondContact O-ND2 3.28Å; N335-N338 PolarHBondContact O-N 2.89Å; L336-N338 PolarHBondContact O-N 3.33Å
339T35.9Very low35.5Very low84 Ų84115.4 Ų115.452%0.51562%0.619SS.*Hα-helixtrans-74.2-41.4176.4-50.50000111.6N335 L336 I341 L342N335-T339 PolarHBondContact O-N 2.91Å; N335-T339 PolarHBondContact O-OG1 3.44Å; L336-T339 PolarHBondContact O-N 3.22Å; T339-I341 PolarHBondContact O-N 3.25Å; T339-L342 PolarHBondContact O-N 2.95Å
340I37Very low35.4Very low103 Ų103123 Ų12353%0.52864%0.642SS.*Hα-helixtrans-68.1-18.6-174.4-65.3166.3000113.1L336L336-I340 WeakPolarHBondContact O-CG1 3.29Å; L336-I340 PolarHBondContact O-N 2.9Å
341I37.5Very low35.3Very low117 Ų117125.7 Ų125.760%0.665%0.651SS**Hα-helixtrans-82.8-17.6-178.9-65.9175.7000112.8N337 T339N337-I341 WeakPolarHBondContact O-CD1 3.5Å; N337-I341 WeakPolarHBondContact O-CG1 3.48Å; T339-I341 PolarHBondContact O-N 3.25Å
342L37.5Very low35.2Very low122 Ų122126.4 Ų126.464%0.63966%0.655SS**Hα-helixtrans-90-31.2-174.7-71.2167.3000114T339T339-L342 PolarHBondContact O-N 2.95Å
343D34.8Very low35.3Very low117 Ų117128.7 Ų128.763%0.62667%0.668SS**Hα-helixtrans-77.9-23.6-173.7-68-31.7000113.7N345D343-N345 VanDerWaalsContact C-N 3.32Å; D343-N345 PolarHBondContact O-N 3.3Å
344N38.1Very low35.4Very low135 Ų135131.3 Ų131.372%0.72268%0.683SS**THydrogen-bonded Turntrans-79.5-3.8-175.9-76.5-32.4000115.3
345N36.9Very low35.4Very low148 Ų148133 Ų13379%0.79169%0.692SS**THydrogen-bonded Turntrans-112.65.2-177.5-84.7-40.3000114.9D343D343-N345 VanDerWaalsContact C-N 3.32Å; D343-N345 PolarHBondContact O-N 3.3Å
346I37.2Very low35.4Very low140 Ų140135.3 Ų135.372%0.71870%0.703SS**SBendtrans-107.2-9-172.6-63.2177.6000113N348I346-N348 PolarHBondContact O-N 3.47Å
347S31Very low35.6Very low104 Ų104135.5 Ų135.573%0.72771%0.713SS**  trans-101.763.9-177.3-176.90000113.9
348N33.8Very low35.7Very low155 Ų155137.9 Ų137.983%0.82973%0.726SS**SBendtrans-164.965.1166.1-98.4-30.7000113.7I346I346-N348 PolarHBondContact O-N 3.47Å
349H33Very low36Very low191 Ų191140.7 Ų140.788%0.88474%0.741SS**  trans-178.894.5149.7-106.7-72.4000111.2
350R30.3Very low35.9Very low249 Ų249144.2 Ų144.294%0.9476%0.757SS**  trans-153.287.6163.8-117.6178.6-174.4168.42.8110.9
351N35.8Very low36Very low144 Ų144145.1 Ų145.177%0.7777%0.772SS**  trans-155.9136.5160.9-116.2-13000110.2
352N34Very low35.7Very low124 Ų124147.8 Ų147.866%0.66378%0.784SS**  trans56.297.4156.4-56.1-14.5000118.4
353N37.2Very low35.7Very low155 Ų155149.2 Ų149.283%0.82980%0.797SS**  174.4158.889.6-86.1-35.9000113.4
354N35.6Very low35.6Very low143 Ų143153.3 Ų153.377%0.76581%0.81SS**  trans-84.4175.6-178-60.9-47.4000113
355N37.6Very low35.5Very low143 Ų143151.8 Ų151.877%0.76581%0.809SS**  trans86.7103.2172.5-45.1-27.9000112.9
356I33.3Very low35.6Very low161 Ų161153.6 Ų153.683%0.82681%0.813SS**  60.89475.5-57.1167.7000111.8
357S39.7Very low35.2Very low107 Ų107150.6 Ų150.675%0.74882%0.817SS**  178.7141114.759.90000110.8
358D37.3Very low35.6Very low145 Ų145152.7 Ų152.778%0.77583%0.825SS**  trans-53.5155.4179.4-44.4-77.2000114.6
359N41.8Very low35.4Very low167 Ų167151.9 Ų151.989%0.89382%0.816SS**  -176137.5124.1-96.1-61.1000112.3
360D34.2Very low35.3Very low159 Ų159153.2 Ų153.285%0.8582%0.82SS**  trans-68.5151.2175.7-77.6-62.7000113.5
361S39.4Very low35.4Very low122 Ų122148.8 Ų148.885%0.85381%0.808SS**  -167.8138.1125.737.60000113.5
362M31.4Very low35Very low173 Ų173148.6 Ų148.685%0.85281%0.806SS**  trans-76.2139.2177.9-65.8155.336.500112.6
363V38.5Very low34.9Very low151 Ų151152.3 Ų152.392%0.91582%0.816SS**  trans-137.8133.5138.1-178.60000109
364K32Very low34.6Very low204 Ų204150.9 Ų150.989%0.88781%0.809SS**  trans-137.8112.1-170.9-173.6176.6-174.5174.80110.2
365S36.8Very low34.3Very low102 Ų102150 Ų15071%0.71381%0.814SS**  trans-171.9142.5174.3-174.20000109.3
366Q38.1Very low34.1Very low186 Ų186147.9 Ų147.987%0.86981%0.81SS**  cis-147.6151.3-21.8-109.9-177.323.100106.2
367G28.8Very low34.1Very low77 Ų77145.1 Ų145.179%0.79481%0.805SS**  trans-85.3143.7-175.800000113.8
368T39.8Very low33.8Very low148 Ų148148.2 Ų148.291%0.90881%0.812SS**  trans-113.6136.5155.548.40000109.3
369H28.9Very low33.7Very low138 Ų138145 Ų14564%0.63980%0.801SS**  trans-110.6120.3-165.6148.5-66.4000109.6
370F30.4Very low33.4Very low219 Ų219143.7 Ų143.796%0.96179%0.793SS**  trans-128.8147.7159.3-104.6-85.7000110.9
371K33.7Very low33.2Very low157 Ų157144.1 Ų144.168%0.68379%0.794SS**  trans-101.3142.9-151.5-100.9172173.11760113.1
372L27.6Very low32.9Very low140 Ų140143.2 Ų143.273%0.73379%0.788SS**  trans65.6103132.1-159.881000118.1
373F31.3Very low33.1Very low202 Ų202139 Ų13989%0.88678%0.776SS**  trans-150.1152.3132.2-99.5-67.3000110.1
374D30.7Very low32.8Very low125 Ų125141.4 Ų141.467%0.66877%0.769SS**  trans-74.2131.2-150.1-70.2-62000117.6S376D374-S376 VanDerWaalsContact C-N 3.34Å; D374-S376 PolarHBondContact O-N 3.4Å
375S28.6Very low32.9Very low125 Ų125137.4 Ų137.487%0.87477%0.765SS**THydrogen-bonded Turntrans-70.881.4164.3-58.10000111.1
376S34.6Very low32.7Very low98 Ų98136.1 Ų136.169%0.68576%0.756SS**THydrogen-bonded Turntrans-140.1-11.2171.4-72.20000115.2D374D374-S376 VanDerWaalsContact C-N 3.34Å; D374-S376 PolarHBondContact O-N 3.4Å
377S33.2Very low32.7Very low102 Ų102134.4 Ų134.471%0.71375%0.751SS**SBendtrans-97.6-7.4-171.7-35.30000115.2
378L33.8Very low33.1Very low172 Ų172139.1 Ų139.190%0.90175%0.752SS**SBendtrans-106.120.7-165.9-70.3171.3000114.8
379S34.4Very low33Very low79 Ų79139.5 Ų139.555%0.55274%0.741SS**SBendtrans-106.2-6.1-177.354.90000115.3
380I34.9Very low33.3Very low138 Ų138138.3 Ų138.371%0.70874%0.739SS**SBendtrans-88.1-20.2-170.3-63.4177.8000113.1
381L31.5Very low33.5Very low169 Ų169133 Ų13389%0.88572%0.721SS**SBendtrans-105.4-0.5-170.8-133.371.2000116
382S32.3Very low33.7Very low103 Ų103130.9 Ų130.972%0.7271%0.713SS**SBendtrans-93.26.6-177.957.30000115.3
383S34.5Very low34.1Very low85 Ų85128.9 Ų128.959%0.59470%0.702SS**  trans-114.118.1-167.4-66.70000116.2P385S383-P385 WeakPolarHBondContact O-CD 3.4Å
384Y33.2Very low34.4Very low200 Ų200123.2 Ų123.278%0.78468%0.681SS**  trans-120.579.5179.5-79.9-76000115S386Y384-S386 PolarHBondContact O-N 3.05Å; Y384-S386 VanDerWaalsContact O-N 3.11Å
385P33.2Very low34.8Very low121 Ų121123.9 Ų123.979%0.78668%0.675SS**  trans-80.681.6167.833.7-32.8000110.4S383S383-P385 WeakPolarHBondContact O-CD 3.4Å
386S34.4Very low35.2Very low75 Ų75125.3 Ų125.352%0.52467%0.669SS.*  trans-158.96.7176.3-84.30000117.6Y384 E388 K389Y384-S386 PolarHBondContact O-N 3.05Å; Y384-S386 VanDerWaalsContact O-N 3.11Å; S386-E388 VanDerWaalsContact C-N 3.26Å; S386-E388 PolarHBondContact O-N 3.29Å; S386-K389 PolarHBondContact O-N 3.03Å
387I37.6Very low35.6Very low149 Ų149124.2 Ų124.276%0.76466%0.656SS**THydrogen-bonded Turntrans-62.2-31.5-175-67.8175.7000112.6K389 L390I387-K389 PolarHBondContact O-N 3.08Å; I387-K389 VanDerWaalsContact O-N 3.12Å; I387-L390 PolarHBondContact O-N 3.25Å; I387-L390 VanDerWaalsContact O-N 3.17Å
388E36.8Very low36.2Very low176 Ų176125 Ų12582%0.82265%0.652SS**THydrogen-bonded Turntrans-62.8-16.9175.2-63.8-179.3146.300114.8S386 L390S386-E388 VanDerWaalsContact C-N 3.26Å; S386-E388 PolarHBondContact O-N 3.29Å; E388-L390 VanDerWaalsContact C-N 3.33Å
389K38.4Very low36.3Very low156 Ų156122.3 Ų122.368%0.67864%0.638SS**Hα-helixtrans-79.5-12.6176.7-95.3176.6178.4168.50114.1S386 I387S386-K389 PolarHBondContact O-N 3.03Å; I387-K389 PolarHBondContact O-N 3.08Å; I387-K389 VanDerWaalsContact O-N 3.12Å
390L33.8Very low36.5Very low114 Ų114127.1 Ų127.160%0.59765%0.652SS**Hα-helixtrans-75.9-35.3-177.7-14869.1000112.1I387 E388 H392 L393 N394I387-L390 PolarHBondContact O-N 3.25Å; I387-L390 VanDerWaalsContact O-N 3.17Å; E388-L390 VanDerWaalsContact C-N 3.33Å; L390-H392 VanDerWaalsContact C-N 3.31Å; L390-H392 PolarHBondContact O-N 3.18Å; L390-L393 PolarHBondContact O-N 2.61Å; L390-L393 VanDerWaalsContact O-N 3.13Å; L390-N394 PolarHBondContact O-N 3.47Å
391D35.5Very low36.8Very low107 Ų107128.6 Ų128.657%0.57265%0.654SS**Hα-helixtrans-65.6-31.7176.9-79.2-20.2000113.5L393 N394 R395D391-L393 VanDerWaalsContact C-N 3.35Å; D391-N394 PolarHBondContact O-N 2.82Å; D391-R395 WeakPolarHBondContact O-CB 3.31Å; D391-R395 PolarHBondContact O-N 3.27Å; D391-R395 PolarHBondContact O-NH1 2.81Å
392H36.7Very low36.9Very low112 Ų112126 Ų12652%0.51964%0.641SS.*Hα-helixtrans-70.1-32.3174.2-80.7-101.2000112.4L390 R395 M396L390-H392 VanDerWaalsContact C-N 3.31Å; L390-H392 PolarHBondContact O-N 3.18Å; H392-R395 PolarHBondContact CE1-NH2 3.11Å; H392-R395 PolarHBondContact ND1-NH2 3.43Å; H392-R395 PolarHBondContact NE2-NH2 3.34Å; H392-R395 PolarHBondContact O-N 2.92Å; H392-M396 PolarHBondContact O-N 2.95Å
393L35.9Very low37.5Very low98 Ų98125.4 Ų125.451%0.51363%0.629SS.*Hα-helixtrans-74.9-33.8174.4-79.2166.5000112.4L390 D391 N397L390-L393 PolarHBondContact O-N 2.61Å; L390-L393 VanDerWaalsContact O-N 3.13Å; D391-L393 VanDerWaalsContact C-N 3.35Å; L393-N397 PolarHBondContact O-ND2 3.02Å
394N39.2Very low37.8Very low83 Ų83125.8 Ų125.844%0.44463%0.628SS.*Hα-helixtrans-66.1-39.2170.3-81.9-25.7000111.5L390 D391 N398L390-N394 PolarHBondContact O-N 3.47Å; D391-N394 PolarHBondContact O-N 2.82Å; N394-N398 PolarHBondContact O-ND2 3.05Å
395R37.9Very low38.2Very low140 Ų140121.7 Ų121.753%0.52862%0.62SS.*Hα-helixtrans-70-37.1-176.8-166.1153.167.3-101.411.6114.3D391 H392D391-R395 WeakPolarHBondContact O-CB 3.31Å; D391-R395 PolarHBondContact O-N 3.27Å; D391-R395 PolarHBondContact O-NH1 2.81Å; H392-R395 PolarHBondContact CE1-NH2 3.11Å; H392-R395 PolarHBondContact ND1-NH2 3.43Å; H392-R395 PolarHBondContact NE2-NH2 3.34Å; H392-R395 PolarHBondContact O-N 2.92Å
396M37.2Very low38.7Very low154 Ų154117.7 Ų117.776%0.75959%0.591SS**Hα-helixtrans-81-11.9179.6-63.8-150.6-46.500115.5H392H392-M396 PolarHBondContact O-N 2.95Å
397N44Very low39Very low76 Ų76117.4 Ų117.441%0.40659%0.589SS.*Hα-helixtrans-96.8-8.1-175.8-78.7-61.7000114.3L393L393-N397 PolarHBondContact O-ND2 3.02Å
398N44.8Very low39.3Very low119 Ų119119.8 Ų119.864%0.63659%0.59SS**THydrogen-bonded Turntrans-82-24.5-176.9-70.5-17.8000113.6N394 Q400N394-N398 PolarHBondContact O-ND2 3.05Å; N398-Q400 PolarHBondContact O-N 3.03Å
399D37Very low39.9Very low115 Ų115116 Ų11662%0.61558%0.575SS**THydrogen-bonded Turntrans-89.20.5-167.6-64.8-29.8000115.6
400Q37.8Very low40.4Very low180 Ų180110 Ų11084%0.84155%0.549SS*.THydrogen-bonded Turntrans-148.2-4.7-176.7-122.9169.227.100118.9N398N398-Q400 PolarHBondContact O-N 3.03Å
401F40.6Very low41.2Very low168 Ų168113.3 Ų113.374%0.73756%0.559SS**  trans-103.977.9176.9-83.4-80000112.6L403F401-L403 PolarHBondContact O-N 2.91Å; F401-L403 VanDerWaalsContact O-N 3.11Å
402N34.8Very low41.8Very low116 Ų116112.3 Ų112.362%0.6255%0.553SS**  trans-63.9108.3173.8-150.3-32.4000109.9T404 N405N402-T404 PolarHBondContact O-N 3.39Å; N402-T404 PolarHBondContact OD1-OG1 3.13Å; N402-N405 PolarHBondContact O-N 3.17Å
403L43.4Very low42.4Very low89 Ų89111.5 Ų111.547%0.46656%0.56SS.*G310 helixtrans-64.2-9.9-172.7-8498000114.2F401 N405 L406F401-L403 PolarHBondContact O-N 2.91Å; F401-L403 VanDerWaalsContact O-N 3.11Å; L403-N405 PolarHBondContact O-N 3.14Å; L403-N405 VanDerWaalsContact O-N 3.11Å; L403-L406 PolarHBondContact O-N 3.46Å; L403-L406 VanDerWaalsContact O-N 3.14Å
404T42.6Very low42.9Very low93 Ų93114.5 Ų114.557%0.57157%0.571SS**G310 helixtrans-52.4-29.7173.648.90000113.4N402 L406 S407N402-T404 PolarHBondContact O-N 3.39Å; N402-T404 PolarHBondContact OD1-OG1 3.13Å; T404-L406 PolarHBondContact O-N 3.13Å; T404-S407 WeakPolarHBondContact O-CB 3.44Å
405N41Very low43.2Very low115 Ų115111.5 Ų111.562%0.61556%0.555SS**G310 helixtrans-77.7-11.5-179-76.5-39.1000115.5N402 L403 S407N402-N405 PolarHBondContact O-N 3.17Å; L403-N405 PolarHBondContact O-N 3.14Å; L403-N405 VanDerWaalsContact O-N 3.11Å; N405-S407 VanDerWaalsContact C-N 3.26Å; N405-S407 PolarHBondContact O-N 3.14Å
406L44.1Very low43.5Very low36 Ų36107.3 Ų107.319%0.18854%0.544CS..G310 helixtrans-75.9-13.5173.5-81.994000113.6L170 L403 T404 Y408 L409 F410L170-L406 HydrophobicContact CD1-CD2 4.29Å; L403-L406 PolarHBondContact O-N 3.46Å; L403-L406 VanDerWaalsContact O-N 3.14Å; T404-L406 PolarHBondContact O-N 3.13Å; L406-Y408 PolarHBondContact O-N 2.96Å; L406-Y408 VanDerWaalsContact O-N 3.09Å; L406-L409 PolarHBondContact O-N 3.08Å; L406-F410 HydrophobicContact CD2-CE2 4.14Å; L406-F410 PolarHBondContact O-N 3.17Å
407S41Very low44Very low69 Ų69104.3 Ų104.348%0.48354%0.537SS..G310 helixtrans-48.6-34.1170.6175.90000113T404 N405T404-S407 WeakPolarHBondContact O-CB 3.44Å; N405-S407 VanDerWaalsContact C-N 3.26Å; N405-S407 PolarHBondContact O-N 3.14Å
408Y43.8Very low43.8Very low199 Ų199104.9 Ų104.978%0.7854%0.539SS*.G310 helixtrans-80.1-16.9179.8-70-78.6000114.9L406L406-Y408 PolarHBondContact O-N 2.96Å; L406-Y408 VanDerWaalsContact O-N 3.09Å
409L48.1Very low43.8Very low98 Ų98100.8 Ų100.851%0.51352%0.515SS..THydrogen-bonded Turntrans-91.6-29.3-177.3-90.1161.2000113.1L406L406-L409 PolarHBondContact O-N 3.08Å
410F49.7Very low44.3Very low30 Ų30102.8 Ų102.813%0.13252%0.519CS..  trans-112.6105.6175.4-59.9-71.1000109L406 D412 I415 N416L406-F410 HydrophobicContact CD2-CE2 4.14Å; L406-F410 PolarHBondContact O-N 3.17Å; F410-D412 PolarHBondContact O-N 3.29Å; F410-I415 HydrophobicContact CB-CB 4.37Å; F410-I415 HydrophobicContact CB-CG2 4.15Å; F410-I415 HydrophobicContact CD1-CD1 4.29Å; F410-I415 HydrophobicContact CD1-CG2 3.86Å; F410-I415 HydrophobicContact CD2-CG2 4.33Å; F410-I415 HydrophobicContact CE1-CG2 4.35Å; F410-I415 HydrophobicContact CG-CG2 3.85Å; F410-N416 PolarHBondContact O-ND2 3.19Å
411K50.5Low44.5Very low183 Ų18396.6 Ų96.680%0.79649%0.491SS*.  trans-73.2-16175.6-73.6-163.7171.7-162.90113
412D47.5Very low44.3Very low85 Ų8595.3 Ų95.346%0.45549%0.492SS..  trans-85.6115-175.3-46.3-43.6000109F410 E414 I415 N416F410-D412 PolarHBondContact O-N 3.29Å; D412-E414 PolarHBondContact O-N 3.07Å; D412-I415 HydrophobicContact CB-CD1 3.98Å; D412-I415 HydrophobicContact CB-CG1 4.08Å; D412-I415 PolarHBondContact O-N 3.06Å; D412-N416 PolarHBondContact O-N 2.96Å
413S49.5Very low44.5Very low95 Ų9596.9 Ų96.966%0.66449%0.494SS*.Hα-helixtrans-61.6-29.6-175.9570000112.7N416 S417S413-N416 PolarHBondContact O-N 2.96Å; S413-S417 WeakPolarHBondContact O-CB 3.49Å; S413-S417 PolarHBondContact O-N 3.05Å
414E46.1Very low43.9Very low161 Ų161100.4 Ų100.475%0.75251%0.509SS*.Hα-helixtrans-61.9-44.2176.4-60.2-174.516200112D412 S417 M418D412-E414 PolarHBondContact O-N 3.07Å; E414-S417 PolarHBondContact O-N 3.24Å; E414-M418 PolarHBondContact O-N 3.39Å
415I46.5Very low43.8Very low20 Ų20101.3 Ų101.310%0.10352%0.517CS..Hα-helixtrans-66.2-45.7178.9-58.9179.1000110M160 F410 D412 S417 M418 F419M160-I415 HydrophobicContact CE-CD1 3.97Å; F410-I415 HydrophobicContact CB-CB 4.37Å; F410-I415 HydrophobicContact CB-CG2 4.15Å; F410-I415 HydrophobicContact CD1-CD1 4.29Å; F410-I415 HydrophobicContact CD1-CG2 3.86Å; F410-I415 HydrophobicContact CD2-CG2 4.33Å; F410-I415 HydrophobicContact CE1-CG2 4.35Å; F410-I415 HydrophobicContact CG-CG2 3.85Å; D412-I415 HydrophobicContact CB-CD1 3.98Å; D412-I415 HydrophobicContact CB-CG1 4.08Å; D412-I415 PolarHBondContact O-N 3.06Å; I415-S417 VanDerWaalsContact C-N 3.28Å; I415-S417 PolarHBondContact O-N 2.96Å; I415-M418 PolarHBondContact O-N 3.43Å; I415-F419 HydrophobicContact CG2-CD2 3.83Å; I415-F419 HydrophobicContact CG2-CE2 4.04Å; I415-F419 WeakPolarHBondContact O-CD2 3.25Å; I415-F419 PolarHBondContact O-N 2.98Å; I415-F419 VanDerWaalsContact O-N 3.17Å
416N44.2Very low43.6Very low53 Ų53101.9 Ų101.928%0.28353%0.525SS..Hα-helixtrans-63.3-33.5176.2-78.5-45000112.7F410 D412 S413 K420F410-N416 PolarHBondContact O-ND2 3.19Å; D412-N416 PolarHBondContact O-N 2.96Å; S413-N416 PolarHBondContact O-N 2.96Å; N416-K420 WeakPolarHBondContact O-CB 3.44Å; N416-K420 PolarHBondContact O-N 3.15Å
417S48.2Very low43.5Very low90 Ų90106.3 Ų106.363%0.62956%0.556SS**Hα-helixtrans-69.7-42.9176.9-1640000111.8S413 E414 I415 K420S413-S417 WeakPolarHBondContact O-CB 3.49Å; S413-S417 PolarHBondContact O-N 3.05Å; E414-S417 PolarHBondContact O-N 3.24Å; I415-S417 VanDerWaalsContact C-N 3.28Å; I415-S417 PolarHBondContact O-N 2.96Å; S417-K420 WeakPolarHBondContact O-CB 3.29Å; S417-K420 PolarHBondContact O-N 3.27Å
418M39.8Very low43.1Very low89 Ų89107.5 Ų107.544%0.43856%0.563SS.*Hα-helixtrans-72.7-31.7-176.2-155.2-175.677.400113.7Y154 E414 I415Y154-M418 HydrophobicContact CE2-CE 3.78Å; Y154-M418 WeakPolarHBondContact OH-CE 3.38Å; Y154-M418 PolarHBondContact OH-SD 3.39Å; E414-M418 PolarHBondContact O-N 3.39Å; I415-M418 PolarHBondContact O-N 3.43Å
419F44.7Very low42.8Very low32 Ų32103.7 Ų103.714%0.1457%0.566CS.*THydrogen-bonded Turntrans-93.39.4177.5-68.3-70.3000114.2L171 N174 L178 I415 L421L171-F419 HydrophobicContact CD1-CE1 4.42Å; L171-F419 HydrophobicContact CD1-CE2 3.97Å; L171-F419 HydrophobicContact CD1-CZ 3.74Å; N174-F419 HydrophobicContact CB-CD1 4.38Å; L178-F419 HydrophobicContact CD2-CE1 4.17Å; I415-F419 HydrophobicContact CG2-CD2 3.83Å; I415-F419 HydrophobicContact CG2-CE2 4.04Å; I415-F419 WeakPolarHBondContact O-CD2 3.25Å; I415-F419 PolarHBondContact O-N 2.98Å; I415-F419 VanDerWaalsContact O-N 3.17Å; F419-L421 PolarHBondContact O-N 2.79Å
420K45.8Very low42.4Very low157 Ų157107.7 Ų107.768%0.68358%0.575SS**  trans-75.665.6175.8-157.9174.9-176.7-177.20111.4N416 S417 N422N416-K420 WeakPolarHBondContact O-CB 3.44Å; N416-K420 PolarHBondContact O-N 3.15Å; S417-K420 WeakPolarHBondContact O-CB 3.29Å; S417-K420 PolarHBondContact O-N 3.27Å; K420-N422 PolarHBondContact O-N 3Å; K420-N422 VanDerWaalsContact O-N 3.08Å
421L42Very low41.9Very low51 Ų51111.5 Ų111.527%0.26761%0.605SS.*  trans-60.8112.4168.4-70.1174.9000108.5K181 F419 F423K181-L421 HydrophobicContact CD-CD2 4.24Å; F419-L421 PolarHBondContact O-N 2.79Å; L421-F423 HydrophobicContact CB-CD2 3.9Å; L421-F423 HydrophobicContact CB-CE2 3.65Å; L421-F423 HydrophobicContact CD1-CE2 3.96Å; L421-F423 HydrophobicContact CD1-CZ 4.5Å; L421-F423 HydrophobicContact CG-CE2 4.46Å; L421-F423 PolarHBondContact O-N 3.03Å
422N37.4Very low41.6Very low140 Ų140108.3 Ų108.375%0.74960%0.601SS**  trans-68.380176.4-71.4-37.1000110.6K420 M424K420-N422 PolarHBondContact O-N 3Å; K420-N422 VanDerWaalsContact O-N 3.08Å; N422-M424 PolarHBondContact O-N 3.22Å
423F37.9Very low41.6Very low150 Ų150109.5 Ų109.566%0.65861%0.612SS**  trans-77.2103.3162.9-73.6-79.9000108.4L421L421-F423 HydrophobicContact CB-CD2 3.9Å; L421-F423 HydrophobicContact CB-CE2 3.65Å; L421-F423 HydrophobicContact CD1-CE2 3.96Å; L421-F423 HydrophobicContact CD1-CZ 4.5Å; L421-F423 HydrophobicContact CG-CE2 4.46Å; L421-F423 PolarHBondContact O-N 3.03Å
424M32.5Very low41.5Very low162 Ų162112.6 Ų112.680%0.79862%0.616SS**  trans-63.4126.4163.9-74.9-81.192.700108.4N422 T426N422-M424 PolarHBondContact O-N 3.22Å; M424-T426 PolarHBondContact O-N 3.46Å
425P40.4Very low41.4Very low113 Ų113115.5 Ų115.573%0.73462%0.622SS**  trans-69.5115.6177.627.5-32.2000109.6
426T36.5Very low41.6Very low126 Ų126119.8 Ų119.877%0.77365%0.648SS**  trans-64.8124.9166.3440000109M424 C428M424-T426 PolarHBondContact O-N 3.46Å; T426-C428 PolarHBondContact O-N 2.74Å
427P41.2Very low41.9Very low130 Ų130128.6 Ų128.684%0.84469%0.693SS**  trans-70.8105-179.727.8-33.4000110.2
428C33.7Very low41.5Very low93 Ų93130.6 Ų130.663%0.62870%0.697SS**  trans-83.9114.1174.8-150.90000109.5T426 Y430T426-C428 PolarHBondContact O-N 2.74Å; C428-Y430 HydrophobicContact CB-CE2 4.46Å; C428-Y430 PolarHBondContact O-N 2.89Å; C428-Y430 VanDerWaalsContact O-N 3.13Å
429S35.9Very low41.6Very low120 Ų120132.7 Ų132.784%0.83971%0.71SS**  trans-79.491.3-176.942.30000111.9S431S429-S431 PolarHBondContact O-N 3.48Å; S429-S431 VanDerWaalsContact O-N 3.12Å
430Y40.9Very low41.5Very low182 Ų182138.3 Ų138.371%0.71474%0.742SS**  trans-74.3100.6169.8-81.5-81.5000111.4C428 T432C428-Y430 HydrophobicContact CB-CE2 4.46Å; C428-Y430 PolarHBondContact O-N 2.89Å; C428-Y430 VanDerWaalsContact O-N 3.13Å; Y430-T432 PolarHBondContact O-N 2.89Å; Y430-T432 VanDerWaalsContact O-N 3.13Å
431S37.9Very low41.2Very low109 Ų109137.2 Ų137.276%0.76275%0.745SS**  trans-57.9113162.6-1780000109.5S429S429-S431 PolarHBondContact O-N 3.48Å; S429-S431 VanDerWaalsContact O-N 3.12Å
432T45.4Very low41.2Very low116 Ų116142.6 Ų142.671%0.71278%0.775SS**  trans-96.198.3172.8-62.90000108.5Y430 Q434Y430-T432 PolarHBondContact O-N 2.89Å; Y430-T432 VanDerWaalsContact O-N 3.13Å; T432-Q434 HydrophobicContact CG2-CG 4.43Å; T432-Q434 PolarHBondContact O-N 2.85Å; T432-Q434 VanDerWaalsContact O-N 3.08Å
433T47.7Very low41.4Very low110 Ų110142.8 Ų142.868%0.67578%0.777SS**  trans-70.5100.4168.5-31.50000108.4Y435T433-Y435 HydrophobicContact CG2-CE2 4.48Å; T433-Y435 PolarHBondContact O-N 3.29Å
434Q46.2Very low41.7Very low161 Ų161142.3 Ų142.375%0.75279%0.785SS**  trans-70.2120.7166.9-69.6-164.8-0.600108.8T432T432-Q434 HydrophobicContact CG2-CG 4.43Å; T432-Q434 PolarHBondContact O-N 2.85Å; T432-Q434 VanDerWaalsContact O-N 3.08Å
435Y43.8Very low42.4Very low222 Ų222140.8 Ų140.887%0.87178%0.784SS**  trans-88.9125.7157.3-90.1-91.7000107.9T433T433-Y435 HydrophobicContact CG2-CE2 4.48Å; T433-Y435 PolarHBondContact O-N 3.29Å
436T51.9Low42.5Very low109 Ų109143.1 Ų143.167%0.66979%0.789SS**  trans-104.4122.4-177.1-65.40000109.5
437I49.2Very low43.1Very low239 Ų239144.6 Ų144.6100%1.22679%0.79SS**  trans71.90177.3-57.7164.7000114.2

Retrieved 437 of 437 residues in 114.2 ms (Link to these results)