A0A087XG02_POEFO Loading...

Glucocorticoid modulatory element binding protein 1

AlphaFold DB , UniProt , Accession A0A087XG02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 596 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low33.4Very low237 Ų237138.6 Ų138.6100%1.16781%0.807SS**  0112.60-67.1176.2-179.400105.1
2A33.8Very low33.2Very low92 Ų92133.7 Ų133.776%0.7681%0.808SS**  82.1132.791.700000110.5
3N31.6Very low32.8Very low152 Ų152135 Ų13581%0.81381%0.808SS**  cis-143.2161.216.8-123.915.1000113.2
4T42.2Very low32.4Very low112 Ų112136.6 Ų136.669%0.68781%0.805SS**  trans-82.2161.2157.950.70000110.9
5N36.5Very low32.2Very low128 Ų128135.5 Ų135.568%0.68480%0.8SS**  158.3120.1129.2-78.414.3000107.4
6E33.1Very low31.9Very low165 Ų165137.4 Ų137.477%0.77180%0.802SS**  82.9150.955.2-162-171.1-132.900112.3
7V32Very low31.9Very low117 Ų117136.9 Ų136.971%0.70980%0.8SS**  trans77.9131171.4178.60000116.1
8T26.9Very low31.9Very low121 Ų121139.4 Ų139.474%0.74280%0.8SS**  cis-161.4167.5-14.625.60000111.6
9V28.3Very low31.8Very low136 Ų136140.1 Ų140.182%0.82480%0.8SS**  trans-23148.2163.2-72.50000120.5
10S30.8Very low31.9Very low123 Ų123143 Ų14386%0.8681%0.807SS**  -164.4166.2106.3-157.70000113.3
11V37.6Very low32Very low142 Ų142143.7 Ų143.786%0.86181%0.809SS**  trans-93.8146.1-179.9174.60000111.1
12G31.4Very low32.2Very low79 Ų79141.6 Ų141.681%0.81480%0.796SS**  trans-154.3130.9166.400000110.2
13D28.5Very low32.2Very low151 Ų151141.4 Ų141.481%0.80780%0.803SS**  trans-120.4172-170.1-177.329.2000111.2
14M26.5Very low32.2Very low157 Ų157141.9 Ų141.977%0.77381%0.805SS**  trans93.2148.3150.5-141.1-174.3-14900120
15V29.4Very low32.1Very low120 Ų120141.5 Ų141.573%0.72781%0.807SS**  trans74106.9167.3-164.90000115.2
16M27Very low31.9Very low167 Ų167142.2 Ų142.282%0.82381%0.811SS**  cis89145.332.7-161.3-161.1-16900114
17V32.8Very low32Very low128 Ų128142 Ų14278%0.77682%0.815SS**  trans75.8142.3172.3-171.90000114.5
18K31.6Very low32.6Very low182 Ų182140.6 Ų140.679%0.79181%0.808SS**  cis-168149.5-31.4174.7179.5171.5-170.60106.2
19N29.7Very low33.1Very low152 Ų152142.4 Ų142.481%0.81381%0.813SS**  trans-71.8147.2179.3-58.93.9000113
20E33.2Very low33.4Very low198 Ų198145.2 Ų145.293%0.92582%0.815SS**  trans-123.6173.8160.2-64.9-174.8-16400108.2
21D34.9Very low33.7Very low159 Ų159146.1 Ų146.185%0.8582%0.815SS**  trans-115.1-173.7-144.1-160.110.6000115.4
22E38.1Very low33.6Very low193 Ų193147.1 Ų147.190%0.90281%0.81SS**  trans89.9122.6171.4-55.9-158.4111.200118.3
23G33.8Very low33.8Very low88 Ų88149.2 Ų149.291%0.90781%0.807SS**  trans159.776.5172.700000114.1
24D32.1Very low34.1Very low162 Ų162148.4 Ų148.487%0.86680%0.801SS**  trans-114.8141.5176.7-178.733.5000112.4
25S38.9Very low34.3Very low103 Ų103147.9 Ų147.972%0.7280%0.801SS**  trans161.8101153.4177.60000111.4
26D33.7Very low34.5Very low144 Ų144150.6 Ų150.677%0.7781%0.806SS**  trans23.9126.3151.2-70.7-62.5000122.6
27D35.3Very low35Very low159 Ų159150.3 Ų150.385%0.8581%0.807SS**  -153.8140.3110.6-144.910.4000109.4
28P43.4Very low34.8Very low88 Ų88153 Ų15357%0.57181%0.811SS**  trans-100.9155.5-164.237.3-33.5000114.9
29N37.5Very low34.9Very low159 Ų159149.5 Ų149.585%0.8581%0.807SS**  trans155.169.7138.1-81.4-48.4000113.4
30K35.7Very low35Very low195 Ų195150.5 Ų150.585%0.84881%0.811SS**  trans-152.753.8163.7-155.7173.7-178.9177.20114.2Q32K30-Q32 PolarHBondContact O-N 3.18Å
31T37.1Very low34.8Very low142 Ų142145.3 Ų145.387%0.87180%0.796SS**  trans-76.390.1178.8-41.60000111.3
32Q35.2Very low34.5Very low163 Ų163144.3 Ų144.376%0.76280%0.796SS**  trans-75.7138.8173.2-164.7169.614.600110.5K30 I34K30-Q32 PolarHBondContact O-N 3.18Å; Q32-I34 PolarHBondContact O-N 3.48Å
33V35.8Very low34Very low123 Ų123138.8 Ų138.875%0.74579%0.791SS**  trans-77.2114.4-173.9178.80000111.2L35V33-L35 HydrophobicContact CG1-CD1 3.58Å
34I33.9Very low33.9Very low134 Ų134141.5 Ų141.569%0.68778%0.784SS**  trans-130.7102.5168.1-58.9179.6000108.5Q32 Q36Q32-I34 PolarHBondContact O-N 3.48Å; I34-Q36 HydrophobicContact CG2-CG 4.09Å; I34-Q36 PolarHBondContact O-N 3.09Å
35L31.6Very low34.1Very low147 Ų147141.9 Ų141.977%0.7778%0.781SS**  trans-82.788.9168.5-8089000109.8V33V33-L35 HydrophobicContact CG1-CD1 3.58Å
36Q34.3Very low33.8Very low176 Ų176141.9 Ų141.982%0.82278%0.781SS**  trans-100.1104.2157.5-79.5-174.5-12.100109I34I34-Q36 HydrophobicContact CG2-CG 4.09Å; I34-Q36 PolarHBondContact O-N 3.09Å
37L35.5Very low34Very low162 Ų162138.5 Ų138.585%0.84877%0.773SS**  trans-76.3122.4176.6-71163.6000109.9
38Q30.4Very low34.2Very low183 Ų183139.2 Ų139.286%0.85577%0.771SS**  trans-123.5156.6162.1-85.7-158.4-200110.5
39P33.5Very low34.1Very low109 Ų109142.3 Ų142.371%0.70879%0.789SS**  trans-90.8149.1-146.333.7-36.4000114.5
40I30.9Very low33.8Very low174 Ų174142.2 Ų142.289%0.89279%0.788SS**  trans-86.3134.3162.7-55177.1000107.9
41S29.6Very low33.6Very low89 Ų89137.1 Ų137.162%0.62278%0.782SS**  trans-114164.4179.8-78.50000112.7
42T29.3Very low33.4Very low137 Ų137134.5 Ų134.584%0.8478%0.775SS**  trans67.6135.816248.90000118.7
43G27.2Very low33.1Very low77 Ų77133 Ų13379%0.79478%0.777SS**  trans159.156.9-17600000111.1
44D30.9Very low33.1Very low145 Ų145135.2 Ų135.278%0.77578%0.781SS**  trans-71147.4-169-58.3-81.7000115.1
45E35.7Very low33.1Very low171 Ų171133.1 Ų133.180%0.79978%0.784SS**  -164.1153.3129.8-106.4-9454.500112.3
46S32.5Very low33.3Very low102 Ų102132.6 Ų132.671%0.71379%0.787SS**  trans-19.5150.8171.6-61.20000120.7
47A39.3Very low33.3Very low74 Ų74131.2 Ų131.261%0.61278%0.78SS**  cis-168167.9-7.700000112.5
48E38.3Very low33.2Very low173 Ų173128 Ų12881%0.80878%0.777SS**  trans37.8109.7151.270.9-160.2120.800122.1
49T41.3Very low33.3Very low154 Ų154126.1 Ų126.195%0.94577%0.768SS**  -164.5146.8112.110.90000111.7
50D31.2Very low33.7Very low157 Ų157126.3 Ų126.384%0.8477%0.772SS**  trans-115.2129.8-176.3180-7.3000110.2
51A32.6Very low34Very low87 Ų87126.5 Ų126.572%0.71977%0.769SS**  trans-174.2134.8144.300000114.2
52A33.1Very low34.4Very low88 Ų88131.4 Ų131.473%0.72778%0.782SS**  trans58.589.7145.300000119.7
53V29.1Very low34.7Very low132 Ų132130.6 Ų130.680%0.878%0.777SS**  trans-64.1129.1155.7-179.30000110.3
54M34.8Very low35.2Very low168 Ų168136 Ų13683%0.82878%0.782SS**  trans-13391.1164.9-83.7-74115.100109.5
55A33.5Very low35.9Very low91 Ų91133.5 Ų133.575%0.75279%0.79SS**  trans-75.3121.5166.500000108.8
56V36.8Very low36Very low135 Ų135132 Ų13282%0.81879%0.788SS**  trans-111.6119.6165.51780000107A58V56-A58 PolarHBondContact O-N 2.93Å
57E33.4Very low36.7Very low147 Ų147132.3 Ų132.369%0.68778%0.781SS**  trans-67.2125.2-174.4-59176.3148.300110.8Q59E57-Q59 HydrophobicContact CB-CG 3.9Å; E57-Q59 PolarHBondContact O-N 3.48Å; E57-Q59 PolarHBondContact OE2-NE2 3.43Å
58A33.3Very low37.6Very low94 Ų94134.4 Ų134.478%0.77779%0.786SS**  trans-74.876.2164.800000109V56 S60V56-A58 PolarHBondContact O-N 2.93Å; A58-S60 PolarHBondContact O-N 3.18Å; A58-S60 PolarHBondContact O-OG 2.99Å
59Q34Very low39.6Very low145 Ų145129.9 Ų129.968%0.67877%0.765SS**  trans-61.7108.1-178.2-69.6-171.5-1100110.2E57 E61E57-Q59 HydrophobicContact CB-CG 3.9Å; E57-Q59 PolarHBondContact O-N 3.48Å; E57-Q59 PolarHBondContact OE2-NE2 3.43Å; Q59-E61 PolarHBondContact O-N 3Å
60S41.6Very low41.7Very low112 Ų112127.2 Ų127.278%0.78374%0.744SS**  trans-83.486178-60.70000108.8A58 Q62A58-S60 PolarHBondContact O-N 3.18Å; A58-S60 PolarHBondContact O-OG 2.99Å; S60-Q62 VanDerWaalsContact C-N 3.31Å; S60-Q62 PolarHBondContact O-N 3.27Å
61E35.6Very low44.6Very low178 Ų178121.5 Ų121.583%0.83272%0.722SS**  trans-69.590172.5-70.7-157.5110.500110.2Q59 T63Q59-E61 PolarHBondContact O-N 3Å; E61-T63 PolarHBondContact O-N 3.37Å
62Q39.7Very low47.5Very low192 Ų192118.8 Ų118.890%0.89770%0.697SS**  trans-91.887-178.5-171.5177.934.900110.3S60S60-Q62 VanDerWaalsContact C-N 3.31Å; S60-Q62 PolarHBondContact O-N 3.27Å
63T34.4Very low50.4Low121 Ų121119.2 Ų119.274%0.74269%0.693SS**  trans-104.9124.3175.949.20000112.9E61E61-T63 PolarHBondContact O-N 3.37Å
64E38.8Very low53.6Low191 Ų191113 Ų11389%0.89366%0.655SS**SBendtrans3791.4157.2-65.2-170.8116.700119.2D66E64-D66 PolarHBondContact O-N 2.87Å
65G44.6Very low56.6Low92 Ų92107.2 Ų107.295%0.94863%0.629SS**  63.721.1128.300000119.8
66D37.7Very low59.5Low139 Ų139102.9 Ų102.974%0.74359%0.593SS**  trans-83.2154.1-178.5-161.618.2000114.2E64 V68E64-D66 PolarHBondContact O-N 2.87Å; D66-V68 PolarHBondContact O-N 2.94Å; D66-V68 VanDerWaalsContact O-N 3.12Å
67D48.3Very low62.1Low108 Ų10898.2 Ų98.258%0.57857%0.573SS**  trans-71.997.6-177.7169.645.2000111.7E69 K86D67-E69 PolarHBondContact O-N 3.34Å; D67-K86 PolarHBondContact O-NZ 3.4Å; D67-K86 IonicContact OD1-NZ 3.94Å; D67-K86 PolarHBondContact OD1-NZ 2.84Å; D67-K86 WeakPolarHBondContact OD2-CD 3.44Å; D67-K86 WeakPolarHBondContact OD2-CE 3.47Å; D67-K86 IonicContact OD2-NZ 3.72Å; D67-K86 PolarHBondContact OD2-NZ 3.49Å
68V58.3Low64.9Low118 Ų11898.2 Ų98.272%0.71558%0.577SS**  trans-28.899-174.1-177.40000112.9D66 I70 K86D66-V68 PolarHBondContact O-N 2.94Å; D66-V68 VanDerWaalsContact O-N 3.12Å; V68-I70 PolarHBondContact O-N 3.48Å; V68-K86 PolarHBondContact O-NZ 2.65Å
69E78.6Confident67.8Low78 Ų7895 Ų9536%0.36455%0.549SS..  trans-80.793.8-170.4-168.4171.5-144.900110.6D67 G71 L84 K87D67-E69 PolarHBondContact O-N 3.34Å; E69-G71 PolarHBondContact O-N 2.91Å; E69-L84 HydrophobicContact CG-CB 4.21Å; E69-L84 HydrophobicContact CG-CD2 4.1Å; E69-K87 WeakPolarHBondContact OE1-CE 3.45Å; E69-K87 VanDerWaalsContact OE1-CG 3.24Å; E69-K87 WeakPolarHBondContact OE1-CG 3.43Å; E69-K87 IonicContact OE1-NZ 2.65Å
70I86.4Confident70.8Confident99 Ų9996 Ų9651%0.50855%0.551SS.*  trans-58105.8-178.2-57.3174.3000109.8V68 V85V68-I70 PolarHBondContact O-N 3.48Å; I70-V85 HydrophobicContact CG2-CB 4.47Å; I70-V85 HydrophobicContact CG2-CG2 4.21Å; I70-V85 WeakPolarHBondContact O-CG2 3.46Å; I70-V85 PolarHBondContact O-N 3.31Å
71G91.3Very high73.4Confident36 Ų3691.2 Ų91.237%0.37152%0.518SS..EExtended strand (participates in β ladder)trans-111.3125.4-178.700000112.3E69 V82 L83E69-G71 PolarHBondContact O-N 2.91Å; G71-V82 VanDerWaalsContact CA-CG1 3.48Å; G71-L83 CarbonylContact C-O 3.55Å; G71-L83 WeakPolarHBondContact CA-O 3.33Å
72C93.6Very high76.3Confident30 Ų3085.3 Ų85.320%0.20349%0.494CS..EExtended strand (participates in β ladder)trans-101.6130.2176.3-61.50000110.9I74 L83 V85 M128C72-I74 PolarHBondContact O-N 2.9Å; C72-L83 PolarHBondContact N-O 2.84Å; C72-L83 PolarHBondContact O-N 3.27Å; C72-V85 WeakPolarHBondContact SG-CG2 3.14Å; C72-M128 HydrophobicContact CB-CE 3.4Å; C72-M128 HydrophobicContact CB-SD 3.83Å
73P95.4Very high79Confident97 Ų9776.3 Ų76.363%0.6345%0.452SS*.EExtended strand (participates in β ladder)trans-69127179.227.7-33.9000111.5
74I96.6Very high81.9Confident2 Ų271.1 Ų71.11%0.0142%0.42CS..EExtended strand (participates in β ladder)trans-125.5157.4178.860.9161.4000111.9C72 A81 L83 V98 F110 I126 R127 M128C72-I74 PolarHBondContact O-N 2.9Å; I74-A81 HydrophobicContact CD1-CB 4.28Å; I74-A81 HydrophobicContact CG1-CB 3.95Å; I74-A81 WeakPolarHBondContact CG1-O 3.22Å; I74-A81 PolarHBondContact N-O 2.89Å; I74-A81 PolarHBondContact O-N 3.32Å; I74-A81 VanDerWaalsContact O-O 3.05Å; I74-L83 HydrophobicContact CD1-CB 4.11Å; I74-L83 HydrophobicContact CG1-CB 4.28Å; I74-L83 HydrophobicContact CG2-CB 3.83Å; I74-V98 HydrophobicContact CD1-CG1 3.99Å; I74-V98 HydrophobicContact CD1-CG2 3.94Å; I74-F110 HydrophobicContact CD1-CD1 4.02Å; I74-F110 HydrophobicContact CD1-CE1 3.76Å; I74-F110 HydrophobicContact CG1-CE1 4.24Å; I74-I126 HydrophobicContact CB-CG2 3.99Å; I74-I126 HydrophobicContact CD1-CG2 3.8Å; I74-I126 HydrophobicContact CG1-CG2 4.46Å; I74-I126 HydrophobicContact CG2-CG2 4.31Å; I74-R127 CarbonylContact C-O 3.57Å; I74-R127 WeakPolarHBondContact CA-O 3.34Å; I74-R127 VanDerWaalsContact CB-O 3.27Å; I74-R127 WeakPolarHBondContact CB-O 3.31Å; I74-M128 HydrophobicContact CG2-CB 4.09Å; I74-M128 HydrophobicContact CG2-CE 3.57Å; I74-M128 HydrophobicContact CG2-CG 4.24Å
75T96.2Very high84.4Confident46 Ų4663.6 Ų63.628%0.28239%0.387SS..EExtended strand (participates in β ladder)trans-132.5154.6175.164.70000111.4C79 K80 I126 R127T75-C79 CarbonylContact C-O 3.58Å; T75-C79 VanDerWaalsContact CA-O 3.25Å; T75-C79 WeakPolarHBondContact CA-O 3.4Å; T75-K80 HydrophobicContact CG2-CG 4.12Å; T75-I126 WeakPolarHBondContact O-CA 3.35Å; T75-R127 PolarHBondContact N-O 3.45Å; T75-R127 PolarHBondContact O-N 2.8Å
76C95.7Very high86.6Confident0 Ų061.6 Ų61.60%035%0.352CS..EExtended strand (participates in β ladder)trans-143.6110.4169.7-172.30000108.5D78 C79 F110 S114 A125 I126C76-D78 PolarHBondContact O-N 2.84Å; C76-D78 VanDerWaalsContact O-N 3.16Å; C76-C79 PolarHBondContact N-O 2.91Å; C76-C79 PolarHBondContact O-N 3.43Å; C76-F110 HydrophobicContact CB-CD1 4.03Å; C76-F110 HydrophobicContact CB-CE1 3.44Å; C76-F110 VanDerWaalsContact CB-CE1 3.44Å; C76-F110 HydrophobicContact CB-CZ 3.73Å; C76-S114 WeakPolarHBondContact CB-OG 3.27Å; C76-S114 VanDerWaalsContact O-CB 3.3Å; C76-S114 WeakPolarHBondContact O-CB 3.45Å; C76-S114 PolarHBondContact O-OG 2.95Å; C76-A125 PolarHBondContact SG-O 3.26Å; C76-I126 HydrophobicContact CB-CG1 4.43Å
77G90.6Very high89.3Confident37 Ų3759.8 Ų59.838%0.38134%0.338SS..THydrogen-bonded Turntrans54.4-122.5-160.200000110.2K116G77-K116 VanDerWaalsContact CA-CE 3.41Å
78D92.1Very high91.4Very high148 Ų14854.7 Ų54.779%0.79131%0.31SS*.THydrogen-bonded Turntrans-93.8-15.8-173.7-42.3-75000112.2C76C76-D78 PolarHBondContact O-N 2.84Å; C76-D78 VanDerWaalsContact O-N 3.16Å
79C94.9Very high93.1Very high27 Ų2751 Ų5118%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-75.1139.5176.7-68.70000111.7T75 C76 Y100 F110 S114T75-C79 CarbonylContact C-O 3.58Å; T75-C79 VanDerWaalsContact CA-O 3.25Å; T75-C79 WeakPolarHBondContact CA-O 3.4Å; C76-C79 PolarHBondContact N-O 2.91Å; C76-C79 PolarHBondContact O-N 3.43Å; C79-Y100 HydrophobicContact CB-CE2 3.92Å; C79-F110 HydrophobicContact CB-CE2 3.89Å; C79-F110 HydrophobicContact CB-CZ 4.32Å; C79-S114 WeakPolarHBondContact CB-OG 3.27Å
80K96Very high93.8Very high166 Ų16647.7 Ų47.772%0.72227%0.273SS*.EExtended strand (participates in β ladder)trans-116.4139.5179.1-56-179.5-177.3175.20110.1T75 Y100T75-K80 HydrophobicContact CG2-CG 4.12Å; K80-Y100 WeakPolarHBondContact O-CD2 3.34Å; K80-Y100 WeakPolarHBondContact O-CE2 3.4Å
81A96.4Very high94Very high10 Ų1044.6 Ų44.68%0.08326%0.26CS..EExtended strand (participates in β ladder)trans-148.6175.4179.500000111.1I74 V98 K99 Y100 F110I74-A81 HydrophobicContact CD1-CB 4.28Å; I74-A81 HydrophobicContact CG1-CB 3.95Å; I74-A81 WeakPolarHBondContact CG1-O 3.22Å; I74-A81 PolarHBondContact N-O 2.89Å; I74-A81 PolarHBondContact O-N 3.32Å; I74-A81 VanDerWaalsContact O-O 3.05Å; A81-V98 HydrophobicContact CB-CG1 3.49Å; A81-V98 VanDerWaalsContact CB-CG1 3.49Å; A81-K99 WeakPolarHBondContact CA-O 3.23Å; A81-K99 WeakPolarHBondContact CB-O 3.27Å; A81-Y100 HydrophobicContact CB-CD2 3.99Å; A81-F110 HydrophobicContact CB-CD2 4.13Å; A81-F110 HydrophobicContact CB-CE1 4.12Å; A81-F110 HydrophobicContact CB-CE2 3.61Å; A81-F110 HydrophobicContact CB-CZ 3.6Å
82V96.4Very high94Very high55 Ų5542.9 Ų42.933%0.33324%0.242SC..EExtended strand (participates in β ladder)trans-117.4126.8172.2-176.30000109.7G71 L84 V98 K99G71-V82 VanDerWaalsContact CA-CG1 3.48Å; V82-L84 HydrophobicContact CG1-CD2 4.1Å; V82-V98 CarbonylContact O-C 3.59Å; V82-V98 WeakPolarHBondContact O-CA 3.29Å; V82-K99 HydrophobicContact CB-CB 4.48Å; V82-K99 PolarHBondContact N-O 3.39Å; V82-K99 PolarHBondContact O-N 2.84Å
83L95.9Very high93.9Very high2 Ų244.1 Ų44.11%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-88116.6172.4-176.272.2000109.4G71 C72 I74 V85 F88 C97 V98 M128 L133 L142G71-L83 CarbonylContact C-O 3.55Å; G71-L83 WeakPolarHBondContact CA-O 3.33Å; C72-L83 PolarHBondContact N-O 2.84Å; C72-L83 PolarHBondContact O-N 3.27Å; I74-L83 HydrophobicContact CD1-CB 4.11Å; I74-L83 HydrophobicContact CG1-CB 4.28Å; I74-L83 HydrophobicContact CG2-CB 3.83Å; L83-V85 PolarHBondContact O-N 2.97Å; L83-F88 HydrophobicContact CD1-CD2 3.84Å; L83-F88 HydrophobicContact CD1-CE2 4.34Å; L83-F88 HydrophobicContact CD1-CG 4.31Å; L83-F88 HydrophobicContact CD2-CD1 4.42Å; L83-F88 HydrophobicContact CD2-CD2 4.32Å; L83-F88 HydrophobicContact CD2-CG 4.26Å; L83-F88 HydrophobicContact CG-CD2 4.5Å; L83-C97 HydrophobicContact CD1-CB 4.49Å; L83-V98 HydrophobicContact CD1-CG2 3.82Å; L83-M128 HydrophobicContact CB-CE 4.42Å; L83-M128 HydrophobicContact CD2-CE 3.77Å; L83-L133 HydrophobicContact CD2-CD1 4.27Å; L83-L142 HydrophobicContact CD2-CD2 3.95Å
84L95.3Very high93.8Very high13 Ų1344.6 Ų44.67%0.06824%0.243CC..EExtended strand (participates in β ladder)trans-85.5103.3-178.9-52.3173000108.5E69 V82 K86 K87 F88 C97 K99 L104E69-L84 HydrophobicContact CG-CB 4.21Å; E69-L84 HydrophobicContact CG-CD2 4.1Å; V82-L84 HydrophobicContact CG1-CD2 4.1Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.9Å; L84-K87 HydrophobicContact CB-CB 4.27Å; L84-K87 HydrophobicContact CB-CG 3.98Å; L84-K87 HydrophobicContact CD1-CG 4.49Å; L84-K87 PolarHBondContact O-N 3.31Å; L84-F88 PolarHBondContact O-N 3.01Å; L84-C97 PolarHBondContact N-O 3.49Å; L84-K99 HydrophobicContact CD1-CB 4.35Å; L84-L104 HydrophobicContact CD1-CD1 3.45Å; L84-L104 VanDerWaalsContact CD1-CD1 3.45Å
85V92.2Very high93.7Very high33 Ų3346.7 Ų46.720%0.226%0.256CS..G310 helixtrans-61.1-43-166.5-179.20000111.2I70 C72 L83 K87 F88 L142I70-V85 HydrophobicContact CG2-CB 4.47Å; I70-V85 HydrophobicContact CG2-CG2 4.21Å; I70-V85 WeakPolarHBondContact O-CG2 3.46Å; I70-V85 PolarHBondContact O-N 3.31Å; C72-V85 WeakPolarHBondContact SG-CG2 3.14Å; L83-V85 PolarHBondContact O-N 2.97Å; V85-K87 PolarHBondContact O-N 2.95Å; V85-K87 VanDerWaalsContact O-N 3.15Å; V85-F88 WeakPolarHBondContact O-CB 3.39Å; V85-F88 PolarHBondContact O-N 3.41Å; V85-L142 HydrophobicContact CG2-CD1 4.37Å
86K91.5Very high93.7Very high49 Ų4950 Ų5021%0.21327%0.266CS..G310 helixtrans-60-23.7176.4-68.2175.5174.5174.60113.8D67 V68 L84 Y145D67-K86 PolarHBondContact O-NZ 3.4Å; D67-K86 IonicContact OD1-NZ 3.94Å; D67-K86 PolarHBondContact OD1-NZ 2.84Å; D67-K86 WeakPolarHBondContact OD2-CD 3.44Å; D67-K86 WeakPolarHBondContact OD2-CE 3.47Å; D67-K86 IonicContact OD2-NZ 3.72Å; D67-K86 PolarHBondContact OD2-NZ 3.49Å; V68-K86 PolarHBondContact O-NZ 2.65Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.9Å; K86-Y145 HydrophobicContact CG-CE2 4.47Å
87K92.6Very high93.7Very high102 Ų10250 Ų5044%0.44327%0.266SS..G310 helixtrans-95.2-8.9176.4-47.8-65.4176.8178.60112.6E69 L84 V85 V89 V95 C97E69-K87 WeakPolarHBondContact OE1-CE 3.45Å; E69-K87 VanDerWaalsContact OE1-CG 3.24Å; E69-K87 WeakPolarHBondContact OE1-CG 3.43Å; E69-K87 IonicContact OE1-NZ 2.65Å; L84-K87 HydrophobicContact CB-CB 4.27Å; L84-K87 HydrophobicContact CB-CG 3.98Å; L84-K87 HydrophobicContact CD1-CG 4.49Å; L84-K87 PolarHBondContact O-N 3.31Å; V85-K87 PolarHBondContact O-N 2.95Å; V85-K87 VanDerWaalsContact O-N 3.15Å; K87-V89 VanDerWaalsContact C-N 3.26Å; K87-V89 PolarHBondContact O-N 3.16Å; K87-V95 WeakPolarHBondContact O-CG1 3.22Å; K87-C97 HydrophobicContact CB-CB 3.77Å; K87-C97 WeakPolarHBondContact O-CB 3.4Å
88F94.3Very high94Very high0 Ų048.2 Ų48.20%025%0.248CC..  trans-80.465-175.4-174.5-121.2000112.1L83 L84 V85 C97 W122 L133 M137 L142 F144 Y145L83-F88 HydrophobicContact CD1-CD2 3.84Å; L83-F88 HydrophobicContact CD1-CE2 4.34Å; L83-F88 HydrophobicContact CD1-CG 4.31Å; L83-F88 HydrophobicContact CD2-CD1 4.42Å; L83-F88 HydrophobicContact CD2-CD2 4.32Å; L83-F88 HydrophobicContact CD2-CG 4.26Å; L83-F88 HydrophobicContact CG-CD2 4.5Å; L84-F88 PolarHBondContact O-N 3.01Å; V85-F88 WeakPolarHBondContact O-CB 3.39Å; V85-F88 PolarHBondContact O-N 3.41Å; F88-C97 HydrophobicContact CB-CB 4.47Å; F88-W122 AromaticContact CE2-CH2 3.85Å; F88-W122 HydrophobicContact CE2-CH2 3.85Å; F88-W122 HydrophobicContact CE2-CZ3 4.06Å; F88-W122 HydrophobicContact CZ-CH2 4.09Å; F88-W122 HydrophobicContact CZ-CZ3 4.42Å; F88-L133 HydrophobicContact CZ-CD2 4.4Å; F88-M137 HydrophobicContact CE1-CE 4Å; F88-M137 HydrophobicContact CZ-CE 4Å; F88-M137 HydrophobicContact CZ-SD 4.27Å; F88-L142 HydrophobicContact CE1-CD2 4.37Å; F88-L142 HydrophobicContact CE1-CG 4.48Å; F88-F144 AromaticContact CD1-CD1 3.86Å; F88-F144 HydrophobicContact CD1-CD1 3.86Å; F88-F144 HydrophobicContact CD2-CD1 4.3Å; F88-F144 AromaticContact CE1-CD1 3.59Å; F88-F144 HydrophobicContact CE1-CD1 3.59Å; F88-F144 AromaticContact CE1-CE1 3.98Å; F88-F144 HydrophobicContact CE1-CE1 3.98Å; F88-F144 HydrophobicContact CE1-CG 4.26Å; F88-F144 HydrophobicContact CE2-CD1 4.06Å; F88-F144 AromaticContact CE2-CE1 3.92Å; F88-F144 HydrophobicContact CE2-CE1 3.92Å; F88-F144 HydrophobicContact CG-CD1 4.21Å; F88-F144 AromaticContact CZ-CD1 3.7Å; F88-F144 HydrophobicContact CZ-CD1 3.7Å; F88-F144 AromaticContact CZ-CE1 3.61Å; F88-F144 HydrophobicContact CZ-CE1 3.61Å; F88-F144 CarbonylContact O-C 3.6Å; F88-F144 VanDerWaalsContact O-CA 3.27Å; F88-F144 WeakPolarHBondContact O-CA 3.31Å; F88-F144 WeakPolarHBondContact O-CB 3.42Å; F88-F144 WeakPolarHBondContact O-CD1 3.47Å; F88-Y145 PolarHBondContact O-N 2.79Å
89V93.4Very high94.2Very high42 Ų4245.3 Ų45.326%0.25523%0.229SC..  trans-84.6146.2-179.5-176.10000111.4K87 G92 Y145 L150K87-V89 VanDerWaalsContact C-N 3.26Å; K87-V89 PolarHBondContact O-N 3.16Å; V89-G92 VanDerWaalsContact O-CA 3.25Å; V89-G92 WeakPolarHBondContact O-CA 3.26Å; V89-G92 PolarHBondContact O-N 3.22Å; V89-Y145 HydrophobicContact CG2-CD1 4.47Å; V89-L150 HydrophobicContact CG1-CB 4.06Å; V89-L150 HydrophobicContact CG1-CD1 3.86Å
90C93.2Very high94.2Very high7 Ų745.6 Ų45.65%0.04723%0.226CC..THydrogen-bonded Turntrans-59.4136.7177.3177.50000111.8F144 L150 T152 C155C90-F144 HydrophobicContact CB-CB 4.02Å; C90-F144 HydrophobicContact CB-CD1 4.24Å; C90-F144 HydrophobicContact CB-CD2 3.71Å; C90-F144 HydrophobicContact CB-CE2 4.09Å; C90-F144 HydrophobicContact CB-CG 3.75Å; C90-F144 HydrophobicContact CB-CZ 4.49Å; C90-L150 WeakPolarHBondContact CB-O 3.38Å; C90-T152 PolarHBondContact SG-N 3.07Å; C90-T152 VanDerWaalsContact SG-N 3.38Å; C90-T152 PolarHBondContact SG-OG1 2.81Å; C90-T152 VanDerWaalsContact SG-OG1 3.4Å; C90-C155 WeakPolarHBondContact SG-CB 3.42Å; C90-C155 PolarHBondContact SG-SG 2.58Å
91P89.8Confident94Very high35 Ų3544.9 Ų44.923%0.22723%0.225CC..THydrogen-bonded Turncis-91.512.63.537.3-35000114.2I93 W122 F144 T152 C155P91-I93 HydrophobicContact CG-CG2 4.37Å; P91-I93 PolarHBondContact O-N 3.25Å; P91-W122 WeakPolarHBondContact O-CZ2 3.37Å; P91-F144 VanDerWaalsContact C-CE1 3.46Å; P91-T152 WeakPolarHBondContact CD-OG1 3.42Å; P91-C155 HydrophobicContact CB-CB 3.9Å
92G91.4Very high93.6Very high0 Ų050.7 Ų50.70%026%0.255CS..  trans74.3-42174.400000116.5V89 N94 V95 P107V89-G92 VanDerWaalsContact O-CA 3.25Å; V89-G92 WeakPolarHBondContact O-CA 3.26Å; V89-G92 PolarHBondContact O-N 3.22Å; G92-N94 VanDerWaalsContact C-N 3.32Å; G92-N94 PolarHBondContact O-N 3.16Å; G92-V95 PolarHBondContact O-N 3.13Å; G92-P107 WeakPolarHBondContact O-CD 3.28Å
93I92.5Very high93.5Very high56 Ų5653.9 Ų53.929%0.28727%0.266SS..THydrogen-bonded Turntrans-47.9-44.2-165.9-172.6171.5000115.5P91 K108 W122P91-I93 HydrophobicContact CG-CG2 4.37Å; P91-I93 PolarHBondContact O-N 3.25Å; I93-K108 HydrophobicContact CG1-CB 4.02Å; I93-K108 HydrophobicContact CG1-CD 4.38Å; I93-K108 WeakPolarHBondContact O-CB 3.12Å; I93-K108 PolarHBondContact O-N 3.37Å; I93-K108 VanDerWaalsContact O-N 3.12Å; I93-W122 HydrophobicContact CB-CZ2 4.24Å; I93-W122 HydrophobicContact CG1-CG 4.27Å
94N93.3Very high93.5Very high107 Ų10756.8 Ų56.857%0.57228%0.281SS*.THydrogen-bonded Turntrans-107.90.6179.7-56.7-43.9000112.8G92 K108G92-N94 VanDerWaalsContact C-N 3.32Å; G92-N94 PolarHBondContact O-N 3.16Å; N94-K108 WeakPolarHBondContact OD1-CD 3.41Å
95V94.5Very high93.5Very high46 Ų4656.4 Ų56.428%0.27928%0.279SS..SBendtrans-76.5135.9-178.7-177.10000108.7K87 G92 C97 S106 P107K87-V95 WeakPolarHBondContact O-CG1 3.22Å; G92-V95 PolarHBondContact O-N 3.13Å; V95-C97 PolarHBondContact O-N 3.49Å; V95-C97 VanDerWaalsContact O-N 3.17Å; V95-C97 PolarHBondContact O-SG 3.11Å; V95-C97 VanDerWaalsContact O-SG 3.42Å; V95-S106 VanDerWaalsContact O-CA 3.24Å; V95-S106 WeakPolarHBondContact O-CA 3.41Å; V95-S106 WeakPolarHBondContact O-CB 3.22Å; V95-P107 WeakPolarHBondContact O-CD 3.14Å
96K95.9Very high93.7Very high114 Ų11455.1 Ų55.150%0.49627%0.272SS..SBendtrans-77.797.3176.5-83.4-168.8168.4-143.50110.2L104 I105K96-L104 HydrophobicContact CB-CD2 4.06Å; K96-L104 HydrophobicContact CB-CG 4.02Å; K96-L104 WeakPolarHBondContact CD-O 3.49Å; K96-L104 WeakPolarHBondContact CE-O 3.32Å; K96-L104 PolarHBondContact NZ-O 3.11Å; K96-I105 WeakPolarHBondContact CA-O 3.42Å
97C95.1Very high93.9Very high0 Ų052.8 Ų52.80%026%0.262CS..  trans-144.13.6-174.459.40000114L83 L84 K87 F88 V95 I105L83-C97 HydrophobicContact CD1-CB 4.49Å; L84-C97 PolarHBondContact N-O 3.49Å; K87-C97 HydrophobicContact CB-CB 3.77Å; K87-C97 WeakPolarHBondContact O-CB 3.4Å; F88-C97 HydrophobicContact CB-CB 4.47Å; V95-C97 PolarHBondContact O-N 3.49Å; V95-C97 VanDerWaalsContact O-N 3.17Å; V95-C97 PolarHBondContact O-SG 3.11Å; V95-C97 VanDerWaalsContact O-SG 3.42Å; C97-I105 PolarHBondContact N-O 2.84Å; C97-I105 VanDerWaalsContact N-O 3.14Å
98V96.6Very high94Very high0 Ų053.7 Ų53.70%027%0.265CS..EExtended strand (participates in β ladder)trans-112.5118.1177.2176.20000108.9I74 A81 V82 L83 I105 P107 F110I74-V98 HydrophobicContact CD1-CG1 3.99Å; I74-V98 HydrophobicContact CD1-CG2 3.94Å; A81-V98 HydrophobicContact CB-CG1 3.49Å; A81-V98 VanDerWaalsContact CB-CG1 3.49Å; V82-V98 CarbonylContact O-C 3.59Å; V82-V98 WeakPolarHBondContact O-CA 3.29Å; L83-V98 HydrophobicContact CD1-CG2 3.82Å; V98-I105 HydrophobicContact CB-CG1 4.18Å; V98-I105 HydrophobicContact CG1-CG1 4.25Å; V98-I105 PolarHBondContact N-O 2.92Å; V98-I105 WeakPolarHBondContact O-CG1 3.46Å; V98-I105 PolarHBondContact O-N 3.17Å; V98-P107 HydrophobicContact CG2-CG 4.08Å; V98-F110 HydrophobicContact CG1-CB 4.14Å; V98-F110 HydrophobicContact CG1-CD1 4.18Å; V98-F110 HydrophobicContact CG1-CD2 4.36Å; V98-F110 HydrophobicContact CG1-CG 3.98Å
99K96.1Very high94.1Very high88 Ų8857.8 Ų57.838%0.38329%0.285SS..EExtended strand (participates in β ladder)trans-86.2115.7170.1-172.1-179.8178.9-172.40109A81 V82 L84 D102 Q103A81-K99 WeakPolarHBondContact CA-O 3.23Å; A81-K99 WeakPolarHBondContact CB-O 3.27Å; V82-K99 HydrophobicContact CB-CB 4.48Å; V82-K99 PolarHBondContact N-O 3.39Å; V82-K99 PolarHBondContact O-N 2.84Å; L84-K99 HydrophobicContact CD1-CB 4.35Å; K99-D102 WeakPolarHBondContact CE-OD1 3.21Å; K99-D102 IonicContact NZ-OD1 2.93Å; K99-D102 PolarHBondContact NZ-OD1 3.47Å; K99-Q103 WeakPolarHBondContact CA-O 3.43Å
100Y95.8Very high94.2Very high33 Ų3355.8 Ų55.813%0.12927%0.272CS..EExtended strand (participates in β ladder)trans-135.3125.9179.4178.8-94.6000109C79 K80 A81 D102 Q103 I105 F110 L113C79-Y100 HydrophobicContact CB-CE2 3.92Å; K80-Y100 WeakPolarHBondContact O-CD2 3.34Å; K80-Y100 WeakPolarHBondContact O-CE2 3.4Å; A81-Y100 HydrophobicContact CB-CD2 3.99Å; Y100-D102 PolarHBondContact O-N 3.11Å; Y100-Q103 PolarHBondContact N-O 3.47Å; Y100-Q103 PolarHBondContact O-N 2.84Å; Y100-I105 HydrophobicContact CD1-CD1 4.37Å; Y100-I105 HydrophobicContact CG-CD1 4.21Å; Y100-F110 AromaticContact CD2-CD2 3.87Å; Y100-F110 HydrophobicContact CD2-CD2 3.87Å; Y100-F110 AromaticContact CD2-CE2 3.57Å; Y100-F110 HydrophobicContact CD2-CE2 3.57Å; Y100-F110 HydrophobicContact CE2-CD2 4.43Å; Y100-F110 AromaticContact CE2-CE2 3.93Å; Y100-F110 HydrophobicContact CE2-CE2 3.93Å; Y100-F110 HydrophobicContact CG-CD2 4.21Å; Y100-F110 HydrophobicContact CG-CE2 4.36Å; Y100-L113 HydrophobicContact CD1-CD1 4.3Å; Y100-L113 HydrophobicContact CE1-CD1 4.5Å
101E91.4Very high94.3Very high151 Ų15155.8 Ų55.871%0.70627%0.272SS*.THydrogen-bonded Turntrans46.650.1-176.5-67.4170.1-168.900111.6Q103E101-Q103 PolarHBondContact O-N 3.36Å
102D88.5Confident94.5Very high131 Ų13160.4 Ų60.470%0.70129%0.291SS*.THydrogen-bonded Turntrans55.31-173-68.8-73.4000117.7K99 Y100K99-D102 WeakPolarHBondContact CE-OD1 3.21Å; K99-D102 IonicContact NZ-OD1 2.93Å; K99-D102 PolarHBondContact NZ-OD1 3.47Å; Y100-D102 PolarHBondContact O-N 3.11Å
103Q94.1Very high94.6Very high123 Ų12365.5 Ų65.558%0.57532%0.317SS*.EExtended strand (participates in β ladder)trans-91.9134.6173.8-164.9176.5122.100112.4K99 Y100 E101 I105K99-Q103 WeakPolarHBondContact CA-O 3.43Å; Y100-Q103 PolarHBondContact N-O 3.47Å; Y100-Q103 PolarHBondContact O-N 2.84Å; E101-Q103 PolarHBondContact O-N 3.36Å; Q103-I105 HydrophobicContact CB-CG2 4.27Å; Q103-I105 HydrophobicContact CG-CG2 3.91Å; Q103-I105 PolarHBondContact O-N 2.95Å
104L95.6Very high94.6Very high63 Ų6363.3 Ų63.333%0.3331%0.307SS..EExtended strand (participates in β ladder)trans-83.8108.3171-169.769.4000111.4L84 K96L84-L104 HydrophobicContact CD1-CD1 3.45Å; L84-L104 VanDerWaalsContact CD1-CD1 3.45Å; K96-L104 HydrophobicContact CB-CD2 4.06Å; K96-L104 HydrophobicContact CB-CG 4.02Å; K96-L104 WeakPolarHBondContact CD-O 3.49Å; K96-L104 WeakPolarHBondContact CE-O 3.32Å; K96-L104 PolarHBondContact NZ-O 3.11Å
105I96.6Very high94.5Very high4 Ų460.9 Ų60.92%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-120169.5-176.564.4172.2000112K96 C97 V98 Y100 Q103 Q109 F110 L113K96-I105 WeakPolarHBondContact CA-O 3.42Å; C97-I105 PolarHBondContact N-O 2.84Å; C97-I105 VanDerWaalsContact N-O 3.14Å; V98-I105 HydrophobicContact CB-CG1 4.18Å; V98-I105 HydrophobicContact CG1-CG1 4.25Å; V98-I105 PolarHBondContact N-O 2.92Å; V98-I105 WeakPolarHBondContact O-CG1 3.46Å; V98-I105 PolarHBondContact O-N 3.17Å; Y100-I105 HydrophobicContact CD1-CD1 4.37Å; Y100-I105 HydrophobicContact CG-CD1 4.21Å; Q103-I105 HydrophobicContact CB-CG2 4.27Å; Q103-I105 HydrophobicContact CG-CG2 3.91Å; Q103-I105 PolarHBondContact O-N 2.95Å; I105-Q109 HydrophobicContact CB-CB 4.25Å; I105-F110 HydrophobicContact CD1-CB 3.77Å; I105-F110 HydrophobicContact CD1-CD2 4.34Å; I105-F110 HydrophobicContact CG1-CB 4.42Å; I105-L113 HydrophobicContact CD1-CD1 3.8Å
106S96.3Very high94.3Very high6 Ų662 Ų624%0.04231%0.309CS..  trans-88.1154.717462.80000113V95 K108 Q109 F110V95-S106 VanDerWaalsContact O-CA 3.24Å; V95-S106 WeakPolarHBondContact O-CA 3.41Å; V95-S106 WeakPolarHBondContact O-CB 3.22Å; S106-K108 PolarHBondContact O-N 3.33Å; S106-Q109 WeakPolarHBondContact O-CA 3.45Å; S106-Q109 WeakPolarHBondContact O-CB 3.39Å; S106-Q109 PolarHBondContact O-N 2.72Å; S106-Q109 WeakPolarHBondContact OG-CG 3.25Å; S106-Q109 PolarHBondContact OG-N 2.94Å; S106-Q109 PolarHBondContact OG-OE1 3.21Å; S106-F110 PolarHBondContact O-N 3.39Å
107P95.5Very high93.9Very high0 Ų059 Ų590%031%0.305CS..Hα-helixtrans-51.6-38.6173.7-29.435.8000113.6G92 V95 V98 F110 V111 W122 I126G92-P107 WeakPolarHBondContact O-CD 3.28Å; V95-P107 WeakPolarHBondContact O-CD 3.14Å; V98-P107 HydrophobicContact CG2-CG 4.08Å; P107-F110 PolarHBondContact O-N 3.24Å; P107-V111 VanDerWaalsContact O-CG2 3.3Å; P107-V111 WeakPolarHBondContact O-CG2 3.5Å; P107-V111 PolarHBondContact O-N 2.92Å; P107-W122 HydrophobicContact CB-CD2 4.17Å; P107-W122 HydrophobicContact CB-CE3 3.48Å; P107-W122 VanDerWaalsContact CB-CE3 3.48Å; P107-W122 HydrophobicContact CB-CZ3 3.73Å; P107-W122 HydrophobicContact CG-CE3 4.28Å; P107-W122 HydrophobicContact CG-CZ3 4.02Å; P107-I126 HydrophobicContact CB-CD1 3.81Å
108K94.7Very high93.4Very high121 Ų12165.1 Ų65.153%0.52634%0.342SS..Hα-helixtrans-63.8-40174.8-178.8-178.8176.3-1740112.8I93 N94 S106 H112I93-K108 HydrophobicContact CG1-CB 4.02Å; I93-K108 HydrophobicContact CG1-CD 4.38Å; I93-K108 WeakPolarHBondContact O-CB 3.12Å; I93-K108 PolarHBondContact O-N 3.37Å; I93-K108 VanDerWaalsContact O-N 3.12Å; N94-K108 WeakPolarHBondContact OD1-CD 3.41Å; S106-K108 PolarHBondContact O-N 3.33Å; K108-H112 WeakPolarHBondContact O-CB 3.29Å; K108-H112 PolarHBondContact O-N 2.81Å
109Q95.4Very high92.8Very high86 Ų8669.1 Ų69.140%0.40236%0.363SS..Hα-helixtrans-69.8-42.2175.4-72.9165.5-61.300111.3I105 S106 V111 H112 L113I105-Q109 HydrophobicContact CB-CB 4.25Å; S106-Q109 WeakPolarHBondContact O-CA 3.45Å; S106-Q109 WeakPolarHBondContact O-CB 3.39Å; S106-Q109 PolarHBondContact O-N 2.72Å; S106-Q109 WeakPolarHBondContact OG-CG 3.25Å; S106-Q109 PolarHBondContact OG-N 2.94Å; S106-Q109 PolarHBondContact OG-OE1 3.21Å; Q109-V111 PolarHBondContact O-N 3.49Å; Q109-H112 WeakPolarHBondContact O-CA 3.44Å; Q109-H112 WeakPolarHBondContact O-CB 3.47Å; Q109-H112 PolarHBondContact O-N 2.82Å; Q109-L113 WeakPolarHBondContact O-CG 3.44Å; Q109-L113 PolarHBondContact O-N 3.41Å
110F95.9Very high92.4Very high0 Ų075.2 Ų75.20%039%0.39CS..Hα-helixtrans-58.6-47.5176.8178.9-128.3000111.9I74 C76 C79 A81 V98 Y100 I105 S106 P107 H112 L113 S114 I126I74-F110 HydrophobicContact CD1-CD1 4.02Å; I74-F110 HydrophobicContact CD1-CE1 3.76Å; I74-F110 HydrophobicContact CG1-CE1 4.24Å; C76-F110 HydrophobicContact CB-CD1 4.03Å; C76-F110 HydrophobicContact CB-CE1 3.44Å; C76-F110 VanDerWaalsContact CB-CE1 3.44Å; C76-F110 HydrophobicContact CB-CZ 3.73Å; C79-F110 HydrophobicContact CB-CE2 3.89Å; C79-F110 HydrophobicContact CB-CZ 4.32Å; A81-F110 HydrophobicContact CB-CD2 4.13Å; A81-F110 HydrophobicContact CB-CE1 4.12Å; A81-F110 HydrophobicContact CB-CE2 3.61Å; A81-F110 HydrophobicContact CB-CZ 3.6Å; V98-F110 HydrophobicContact CG1-CB 4.14Å; V98-F110 HydrophobicContact CG1-CD1 4.18Å; V98-F110 HydrophobicContact CG1-CD2 4.36Å; V98-F110 HydrophobicContact CG1-CG 3.98Å; Y100-F110 AromaticContact CD2-CD2 3.87Å; Y100-F110 HydrophobicContact CD2-CD2 3.87Å; Y100-F110 AromaticContact CD2-CE2 3.57Å; Y100-F110 HydrophobicContact CD2-CE2 3.57Å; Y100-F110 HydrophobicContact CE2-CD2 4.43Å; Y100-F110 AromaticContact CE2-CE2 3.93Å; Y100-F110 HydrophobicContact CE2-CE2 3.93Å; Y100-F110 HydrophobicContact CG-CD2 4.21Å; Y100-F110 HydrophobicContact CG-CE2 4.36Å; I105-F110 HydrophobicContact CD1-CB 3.77Å; I105-F110 HydrophobicContact CD1-CD2 4.34Å; I105-F110 HydrophobicContact CG1-CB 4.42Å; S106-F110 PolarHBondContact O-N 3.39Å; P107-F110 PolarHBondContact O-N 3.24Å; F110-H112 PolarHBondContact O-N 2.88Å; F110-L113 PolarHBondContact O-N 2.98Å; F110-S114 VanDerWaalsContact O-CB 3.26Å; F110-S114 WeakPolarHBondContact O-CB 2.88Å; F110-S114 PolarHBondContact O-N 3.31Å; F110-S114 PolarHBondContact O-OG 3.49Å; F110-I126 HydrophobicContact CD1-CD1 3.9Å; F110-I126 HydrophobicContact CD1-CG1 4.02Å; F110-I126 HydrophobicContact CE1-CG1 4.29Å
111V95.4Very high92.1Very high7 Ų776 Ų764%0.04240%0.396CS..Hα-helixtrans-61.6-30.4174.8170.20000112.4P107 Q109 K116 A117 W122 A125 I126P107-V111 VanDerWaalsContact O-CG2 3.3Å; P107-V111 WeakPolarHBondContact O-CG2 3.5Å; P107-V111 PolarHBondContact O-N 2.92Å; Q109-V111 PolarHBondContact O-N 3.49Å; V111-K116 HydrophobicContact CG1-CB 4.11Å; V111-K116 CarbonylContact O-C 3.54Å; V111-K116 WeakPolarHBondContact O-CA 3.19Å; V111-K116 PolarHBondContact O-N 2.84Å; V111-A117 PolarHBondContact O-N 3.26Å; V111-W122 HydrophobicContact CG2-CB 4.1Å; V111-A125 HydrophobicContact CG1-CB 3.83Å; V111-A125 HydrophobicContact CG2-CB 3.81Å; V111-I126 HydrophobicContact CG2-CD1 4.01Å; V111-I126 HydrophobicContact CG2-CG1 3.64Å
112H94.3Very high92.2Very high132 Ų13270.1 Ų70.161%0.61137%0.368SS*.Hα-helixtrans-74.7-48.5177.2-164.585.8000112.4K108 Q109 F110 S114 G115 A117K108-H112 WeakPolarHBondContact O-CB 3.29Å; K108-H112 PolarHBondContact O-N 2.81Å; Q109-H112 WeakPolarHBondContact O-CA 3.44Å; Q109-H112 WeakPolarHBondContact O-CB 3.47Å; Q109-H112 PolarHBondContact O-N 2.82Å; F110-H112 PolarHBondContact O-N 2.88Å; H112-S114 VanDerWaalsContact C-N 3.27Å; H112-S114 PolarHBondContact O-N 2.96Å; H112-G115 PolarHBondContact O-N 2.94Å; H112-G115 VanDerWaalsContact O-N 3.14Å; H112-A117 WeakPolarHBondContact ND1-CB 3.45Å
113L93.3Very high92.4Very high107 Ų10764.7 Ų64.756%0.5634%0.338SS*.Hα-helixtrans-59.5-38.6174.6-66.9171000111.5Y100 I105 Q109 F110 G115Y100-L113 HydrophobicContact CD1-CD1 4.3Å; Y100-L113 HydrophobicContact CE1-CD1 4.5Å; I105-L113 HydrophobicContact CD1-CD1 3.8Å; Q109-L113 WeakPolarHBondContact O-CG 3.44Å; Q109-L113 PolarHBondContact O-N 3.41Å; F110-L113 PolarHBondContact O-N 2.98Å; L113-G115 PolarHBondContact O-N 3.47Å
114S93.1Very high92.3Very high10 Ų1065.7 Ų65.77%0.0734%0.336CS..THydrogen-bonded Turntrans-70.67.4177.2-53.80000114.8C76 C79 F110 H112 K116C76-S114 WeakPolarHBondContact CB-OG 3.27Å; C76-S114 VanDerWaalsContact O-CB 3.3Å; C76-S114 WeakPolarHBondContact O-CB 3.45Å; C76-S114 PolarHBondContact O-OG 2.95Å; C79-S114 WeakPolarHBondContact CB-OG 3.27Å; F110-S114 VanDerWaalsContact O-CB 3.26Å; F110-S114 WeakPolarHBondContact O-CB 2.88Å; F110-S114 PolarHBondContact O-N 3.31Å; F110-S114 PolarHBondContact O-OG 3.49Å; H112-S114 VanDerWaalsContact C-N 3.27Å; H112-S114 PolarHBondContact O-N 2.96Å; S114-K116 WeakPolarHBondContact O-CG 3.21Å; S114-K116 PolarHBondContact O-N 3.02Å
115G91.4Very high92.3Very high57 Ų5763 Ų6359%0.58832%0.323SS*.THydrogen-bonded Turntrans65.19.1-178.100000115H112 L113H112-G115 PolarHBondContact O-N 2.94Å; H112-G115 VanDerWaalsContact O-N 3.14Å; L113-G115 PolarHBondContact O-N 3.47Å
116K89.9Confident92.2Very high70 Ų7062.9 Ų62.930%0.30432%0.322SS..  trans-97.213.8-177.9-54.9-44.7177.6-161.80113.2G77 V111 S114 T118 L119 A125G77-K116 VanDerWaalsContact CA-CE 3.41Å; V111-K116 HydrophobicContact CG1-CB 4.11Å; V111-K116 CarbonylContact O-C 3.54Å; V111-K116 WeakPolarHBondContact O-CA 3.19Å; V111-K116 PolarHBondContact O-N 2.84Å; S114-K116 WeakPolarHBondContact O-CG 3.21Å; S114-K116 PolarHBondContact O-N 3.02Å; K116-T118 PolarHBondContact O-N 3.09Å; K116-L119 HydrophobicContact CB-CD1 4.39Å; K116-L119 WeakPolarHBondContact O-CB 3.43Å; K116-L119 PolarHBondContact O-N 2.79Å; K116-A125 HydrophobicContact CB-CB 4.38Å
117A86.6Confident92.2Very high50 Ų5067.7 Ų67.741%0.41334%0.34SS..THydrogen-bonded Turntrans-52.8-23.2179.700000115.5V111 H112 L119V111-A117 PolarHBondContact O-N 3.26Å; H112-A117 WeakPolarHBondContact ND1-CB 3.45Å; A117-L119 VanDerWaalsContact C-N 3.26Å; A117-L119 PolarHBondContact O-N 3.31Å
118T84.7Confident92.2Very high128 Ų12868.7 Ų68.779%0.78535%0.345SS*.THydrogen-bonded Turntrans-67.9-25.2175.852.10000112.8K116 K120K116-T118 PolarHBondContact O-N 3.09Å; T118-K120 PolarHBondContact O-N 2.76Å
119L84.6Confident92Very high85 Ų8566.8 Ų66.845%0.44536%0.359SS..  trans-77.4103.4171.3-69.4169.2000109.6K116 A117 D121 A125K116-L119 HydrophobicContact CB-CD1 4.39Å; K116-L119 WeakPolarHBondContact O-CB 3.43Å; K116-L119 PolarHBondContact O-N 2.79Å; A117-L119 VanDerWaalsContact C-N 3.26Å; A117-L119 PolarHBondContact O-N 3.31Å; L119-D121 PolarHBondContact O-N 3.21Å; L119-A125 HydrophobicContact CB-CB 4.24Å; L119-A125 HydrophobicContact CD1-CB 3.97Å
120K86.4Confident91.8Very high215 Ų21564.7 Ų64.794%0.93536%0.361SS*.SBendtrans-63.2-5.6175.7-62.2-178.2-180178.80114.3T118T118-K120 PolarHBondContact O-N 2.76Å
121D90.3Very high91.7Very high50 Ų5067.4 Ų67.427%0.26738%0.377SS..  trans-115.398.5177.1-174.7-18000110.4L119 K123 R124 A125L119-D121 PolarHBondContact O-N 3.21Å; D121-K123 VanDerWaalsContact C-N 3.27Å; D121-K123 PolarHBondContact O-N 3.24Å; D121-K123 WeakPolarHBondContact OD1-CA 3.37Å; D121-K123 WeakPolarHBondContact OD1-CB 3.49Å; D121-K123 PolarHBondContact OD1-N 2.79Å; D121-R124 HydrophobicContact CB-CB 4.25Å; D121-R124 HydrophobicContact CB-CG 4.39Å; D121-R124 PolarHBondContact O-N 2.86Å; D121-R124 PolarHBondContact OD1-N 3.11Å; D121-R124 VanDerWaalsContact OD1-N 3.14Å; D121-R124 WeakPolarHBondContact OD2-CD 3.01Å; D121-R124 VanDerWaalsContact OD2-CG 3.25Å; D121-R124 WeakPolarHBondContact OD2-CG 3.46Å; D121-A125 PolarHBondContact O-N 2.78Å; D121-A125 VanDerWaalsContact O-N 3.09Å
122W92.8Very high91.7Very high28 Ų2870.3 Ų70.311%0.10639%0.391CS..Hα-helixtrans-65.3-27.6178.866.4-86.8000112.9F88 P91 I93 P107 V111 R124 A125 I126 L133 F144F88-W122 AromaticContact CE2-CH2 3.85Å; F88-W122 HydrophobicContact CE2-CH2 3.85Å; F88-W122 HydrophobicContact CE2-CZ3 4.06Å; F88-W122 HydrophobicContact CZ-CH2 4.09Å; F88-W122 HydrophobicContact CZ-CZ3 4.42Å; P91-W122 WeakPolarHBondContact O-CZ2 3.37Å; I93-W122 HydrophobicContact CB-CZ2 4.24Å; I93-W122 HydrophobicContact CG1-CG 4.27Å; P107-W122 HydrophobicContact CB-CD2 4.17Å; P107-W122 HydrophobicContact CB-CE3 3.48Å; P107-W122 VanDerWaalsContact CB-CE3 3.48Å; P107-W122 HydrophobicContact CB-CZ3 3.73Å; P107-W122 HydrophobicContact CG-CE3 4.28Å; P107-W122 HydrophobicContact CG-CZ3 4.02Å; V111-W122 HydrophobicContact CG2-CB 4.1Å; W122-R124 VanDerWaalsContact C-N 3.29Å; W122-R124 PolarHBondContact O-N 3.37Å; W122-A125 PolarHBondContact O-N 3.1Å; W122-I126 HydrophobicContact CE3-CD1 4.16Å; W122-I126 WeakPolarHBondContact O-CG1 3.27Å; W122-I126 PolarHBondContact O-N 3.13Å; W122-L133 HydrophobicContact CE3-CD2 4.31Å; W122-L133 HydrophobicContact CZ3-CD2 3.72Å; W122-F144 HydrophobicContact CH2-CE1 4.45Å
123K93.3Very high91.6Very high17 Ų1764 Ų647%0.07436%0.362CS..Hα-helixtrans-73.5-21.9178-59.9-176.2167.3-169.80112.1D121 L133 R134 M137 C155D121-K123 VanDerWaalsContact C-N 3.27Å; D121-K123 PolarHBondContact O-N 3.24Å; D121-K123 WeakPolarHBondContact OD1-CA 3.37Å; D121-K123 WeakPolarHBondContact OD1-CB 3.49Å; D121-K123 PolarHBondContact OD1-N 2.79Å; K123-L133 WeakPolarHBondContact O-CB 3.45Å; K123-L133 PolarHBondContact O-N 2.99Å; K123-R134 HydrophobicContact CB-CB 3.83Å; K123-R134 PolarHBondContact O-N 2.97Å; K123-M137 HydrophobicContact CD-SD 3.73Å; K123-M137 WeakPolarHBondContact CE-SD 3.41Å; K123-M137 HydrophobicContact CG-SD 4.33Å; K123-M137 PolarHBondContact NZ-SD 2.9Å; K123-C155 PolarHBondContact NZ-O 2.98Å
124R93.1Very high91.6Very high144 Ų14460.8 Ų60.854%0.54334%0.343SS..Hα-helixtrans-92.1-25.9171.8-68.4177.969.8-152.81.7113.1D121 W122 R134D121-R124 HydrophobicContact CB-CB 4.25Å; D121-R124 HydrophobicContact CB-CG 4.39Å; D121-R124 PolarHBondContact O-N 2.86Å; D121-R124 PolarHBondContact OD1-N 3.11Å; D121-R124 VanDerWaalsContact OD1-N 3.14Å; D121-R124 WeakPolarHBondContact OD2-CD 3.01Å; D121-R124 VanDerWaalsContact OD2-CG 3.25Å; D121-R124 WeakPolarHBondContact OD2-CG 3.46Å; W122-R124 VanDerWaalsContact C-N 3.29Å; W122-R124 PolarHBondContact O-N 3.37Å; R124-R134 HydrophobicContact CG-CB 4.26Å
125A94.4Very high91.6Very high6 Ų666.9 Ų66.95%0.0537%0.368CS..Hα-helixtrans-73.8-38.2175.600000112.8C76 V111 K116 L119 D121 W122C76-A125 PolarHBondContact SG-O 3.26Å; V111-A125 HydrophobicContact CG1-CB 3.83Å; V111-A125 HydrophobicContact CG2-CB 3.81Å; K116-A125 HydrophobicContact CB-CB 4.38Å; L119-A125 HydrophobicContact CB-CB 4.24Å; L119-A125 HydrophobicContact CD1-CB 3.97Å; D121-A125 PolarHBondContact O-N 2.78Å; D121-A125 VanDerWaalsContact O-N 3.09Å; W122-A125 PolarHBondContact O-N 3.1Å
126I95.4Very high91.7Very high1 Ų165.4 Ų65.41%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-83.2142.4175.7-60.3177.5000110.6I74 T75 C76 P107 F110 V111 W122 L133I74-I126 HydrophobicContact CB-CG2 3.99Å; I74-I126 HydrophobicContact CD1-CG2 3.8Å; I74-I126 HydrophobicContact CG1-CG2 4.46Å; I74-I126 HydrophobicContact CG2-CG2 4.31Å; T75-I126 WeakPolarHBondContact O-CA 3.35Å; C76-I126 HydrophobicContact CB-CG1 4.43Å; P107-I126 HydrophobicContact CB-CD1 3.81Å; F110-I126 HydrophobicContact CD1-CD1 3.9Å; F110-I126 HydrophobicContact CD1-CG1 4.02Å; F110-I126 HydrophobicContact CE1-CG1 4.29Å; V111-I126 HydrophobicContact CG2-CD1 4.01Å; V111-I126 HydrophobicContact CG2-CG1 3.64Å; W122-I126 HydrophobicContact CE3-CD1 4.16Å; W122-I126 WeakPolarHBondContact O-CG1 3.27Å; W122-I126 PolarHBondContact O-N 3.13Å; I126-L133 HydrophobicContact CB-CB 4.23Å; I126-L133 HydrophobicContact CB-CD2 4.26Å; I126-L133 HydrophobicContact CG2-CB 4.22Å; I126-L133 HydrophobicContact CG2-CD1 4.44Å; I126-L133 HydrophobicContact CG2-CD2 4.12Å; I126-L133 WeakPolarHBondContact O-CB 3.47Å; I126-L133 PolarHBondContact O-N 3.5Å
127R95.5Very high91.8Very high107 Ų10762.8 Ų62.840%0.40434%0.335SS..EExtended strand (participates in β ladder)trans-126.1152.7174.6-68.8171.2179.8-90.7-0.3111.1I74 T75 G130 V131I74-R127 CarbonylContact C-O 3.57Å; I74-R127 WeakPolarHBondContact CA-O 3.34Å; I74-R127 VanDerWaalsContact CB-O 3.27Å; I74-R127 WeakPolarHBondContact CB-O 3.31Å; T75-R127 PolarHBondContact N-O 3.45Å; T75-R127 PolarHBondContact O-N 2.8Å; R127-G130 WeakPolarHBondContact CD-O 3.26Å; R127-G130 PolarHBondContact NH1-O 2.89Å; R127-V131 CarbonylContact C-O 3.44Å; R127-V131 WeakPolarHBondContact CA-O 3.32Å; R127-V131 WeakPolarHBondContact CB-O 3.24Å
128M95Very high91.9Very high21 Ų2164.6 Ų64.610%0.10334%0.338CS..EExtended strand (participates in β ladder)trans-130.1123.5173.4-174.3176.8-72.400107C72 I74 L83 G130 V131 L133 M136 L142C72-M128 HydrophobicContact CB-CE 3.4Å; C72-M128 HydrophobicContact CB-SD 3.83Å; I74-M128 HydrophobicContact CG2-CB 4.09Å; I74-M128 HydrophobicContact CG2-CE 3.57Å; I74-M128 HydrophobicContact CG2-CG 4.24Å; L83-M128 HydrophobicContact CB-CE 4.42Å; L83-M128 HydrophobicContact CD2-CE 3.77Å; M128-G130 PolarHBondContact O-N 2.91Å; M128-G130 VanDerWaalsContact O-N 3.11Å; M128-V131 PolarHBondContact N-O 3.46Å; M128-V131 WeakPolarHBondContact O-CB 3.25Å; M128-V131 PolarHBondContact O-N 2.88Å; M128-L133 HydrophobicContact CB-CD1 4.48Å; M128-L133 HydrophobicContact CE-CD1 4.02Å; M128-M136 HydrophobicContact CB-CG 4.47Å; M128-M136 HydrophobicContact SD-CE 4.45Å; M128-L142 HydrophobicContact CE-CD1 4.31Å; M128-L142 HydrophobicContact CE-CD2 3.6Å; M128-L142 HydrophobicContact SD-CD2 4.2Å
129G91.1Very high92.2Very high81 Ų8161.4 Ų61.484%0.83532%0.32SS*.THydrogen-bonded Turntrans54.528.5-170.500000114V131G129-V131 PolarHBondContact O-N 2.79Å
130G91.7Very high92.2Very high42 Ų4259.7 Ų59.743%0.43332%0.323SS..THydrogen-bonded Turntrans79.4-19.9-172.500000115.4R127 M128R127-G130 WeakPolarHBondContact CD-O 3.26Å; R127-G130 PolarHBondContact NH1-O 2.89Å; M128-G130 PolarHBondContact O-N 2.91Å; M128-G130 VanDerWaalsContact O-N 3.11Å
131V94.3Very high92.3Very high58 Ų5856.3 Ų56.335%0.35231%0.311SS..EExtended strand (participates in β ladder)trans-71.7139.5174.8-176.20000109.9R127 M128 G129 L133 K135 M136R127-V131 CarbonylContact C-O 3.44Å; R127-V131 WeakPolarHBondContact CA-O 3.32Å; R127-V131 WeakPolarHBondContact CB-O 3.24Å; M128-V131 PolarHBondContact N-O 3.46Å; M128-V131 WeakPolarHBondContact O-CB 3.25Å; M128-V131 PolarHBondContact O-N 2.88Å; G129-V131 PolarHBondContact O-N 2.79Å; V131-L133 PolarHBondContact O-N 3.39Å; V131-K135 HydrophobicContact CG1-CB 4.02Å; V131-K135 HydrophobicContact CG1-CD 4.15Å; V131-K135 HydrophobicContact CG1-CG 4.26Å; V131-M136 HydrophobicContact CB-CG 4.43Å; V131-M136 HydrophobicContact CB-SD 4.08Å; V131-M136 HydrophobicContact CG1-CG 4.13Å; V131-M136 HydrophobicContact CG1-SD 3.87Å
132M94.1Very high92.4Very high67 Ų6754.5 Ų54.533%0.3330%0.301SS..EExtended strand (participates in β ladder)trans-61.3134.4176-68.2178.6-69.700110.7R134 K135 M136M132-R134 PolarHBondContact O-N 3.41Å; M132-R134 VanDerWaalsContact O-N 3.15Å; M132-K135 PolarHBondContact O-N 3.43Å; M132-M136 PolarHBondContact O-N 2.99Å
133L94Very high92.3Very high1 Ų155.2 Ų55.21%0.00531%0.307CS..Hα-helixtrans-54.3-39.5-179.5-165.775.2000111.2L83 F88 W122 K123 I126 M128 V131 K135 M136 M137 L142L83-L133 HydrophobicContact CD2-CD1 4.27Å; F88-L133 HydrophobicContact CZ-CD2 4.4Å; W122-L133 HydrophobicContact CE3-CD2 4.31Å; W122-L133 HydrophobicContact CZ3-CD2 3.72Å; K123-L133 WeakPolarHBondContact O-CB 3.45Å; K123-L133 PolarHBondContact O-N 2.99Å; I126-L133 HydrophobicContact CB-CB 4.23Å; I126-L133 HydrophobicContact CB-CD2 4.26Å; I126-L133 HydrophobicContact CG2-CB 4.22Å; I126-L133 HydrophobicContact CG2-CD1 4.44Å; I126-L133 HydrophobicContact CG2-CD2 4.12Å; I126-L133 WeakPolarHBondContact O-CB 3.47Å; I126-L133 PolarHBondContact O-N 3.5Å; M128-L133 HydrophobicContact CB-CD1 4.48Å; M128-L133 HydrophobicContact CE-CD1 4.02Å; V131-L133 PolarHBondContact O-N 3.39Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 2.87Å; L133-M136 WeakPolarHBondContact O-CB 3.36Å; L133-M136 PolarHBondContact O-N 2.83Å; L133-M136 VanDerWaalsContact O-N 3.13Å; L133-M137 WeakPolarHBondContact O-CG 3.33Å; L133-M137 PolarHBondContact O-N 3.01Å; L133-L142 HydrophobicContact CD1-CD2 3.45Å; L133-L142 VanDerWaalsContact CD1-CD2 3.45Å; L133-L142 HydrophobicContact CG-CD2 4.35Å
134R92.5Very high92.3Very high39 Ų3954.8 Ų54.815%0.14731%0.305CS..Hα-helixtrans-52.6-43.9173.7-177.462.2-159.1-119.814.3113K123 R124 M132 M137 D138 S157 D161K123-R134 HydrophobicContact CB-CB 3.83Å; K123-R134 PolarHBondContact O-N 2.97Å; R124-R134 HydrophobicContact CG-CB 4.26Å; M132-R134 PolarHBondContact O-N 3.41Å; M132-R134 VanDerWaalsContact O-N 3.15Å; R134-M137 PolarHBondContact O-N 2.83Å; R134-D138 WeakPolarHBondContact CG-OD2 3.48Å; R134-D138 IonicContact CZ-OD1 3.83Å; R134-D138 IonicContact CZ-OD2 2.67Å; R134-D138 IonicContact NE-OD1 3.55Å; R134-D138 PolarHBondContact NE-OD1 3.31Å; R134-D138 IonicContact NE-OD2 3.86Å; R134-D138 PolarHBondContact NE-OD2 2.76Å; R134-D138 IonicContact NH2-OD1 3.59Å; R134-D138 PolarHBondContact NH2-OD1 3.32Å; R134-D138 IonicContact NH2-OD2 3.01Å; R134-D138 VanDerWaalsContact O-CG 3.25Å; R134-D138 PolarHBondContact O-N 3.41Å; R134-S157 PolarHBondContact NH1-OG 3.09Å; R134-D161 IonicContact CZ-OD2 2.76Å; R134-D161 IonicContact NH1-OD2 2.7Å; R134-D161 IonicContact NH2-OD1 3.46Å; R134-D161 PolarHBondContact NH2-OD1 2.87Å; R134-D161 IonicContact NH2-OD2 3.44Å; R134-D161 PolarHBondContact NH2-OD2 3.02Å; R134-D161 VanDerWaalsContact NH2-OD2 3.07Å
135K92.3Very high92.3Very high137 Ų13752.5 Ų52.560%0.59630%0.297SS*.Hα-helixtrans-68.9-36179.7-175.2175.6178.1-177.40111.9V131 M132 L133 M137 D138 S139V131-K135 HydrophobicContact CG1-CB 4.02Å; V131-K135 HydrophobicContact CG1-CD 4.15Å; V131-K135 HydrophobicContact CG1-CG 4.26Å; M132-K135 PolarHBondContact O-N 3.43Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 2.87Å; K135-M137 VanDerWaalsContact C-N 3.29Å; K135-M137 PolarHBondContact O-N 3.39Å; K135-D138 PolarHBondContact O-N 3.17Å; K135-S139 WeakPolarHBondContact O-CB 3.27Å; K135-S139 PolarHBondContact O-N 3.2Å; K135-S139 PolarHBondContact O-OG 3.41Å
136M93.2Very high92.1Very high26 Ų2656.8 Ų56.813%0.12832%0.316CS..Hα-helixtrans-63.8-34.9173.3-60.7-62.9-66.800112.2M128 V131 M132 L133 S139 G140 Q141 L142M128-M136 HydrophobicContact CB-CG 4.47Å; M128-M136 HydrophobicContact SD-CE 4.45Å; V131-M136 HydrophobicContact CB-CG 4.43Å; V131-M136 HydrophobicContact CB-SD 4.08Å; V131-M136 HydrophobicContact CG1-CG 4.13Å; V131-M136 HydrophobicContact CG1-SD 3.87Å; M132-M136 PolarHBondContact O-N 2.99Å; L133-M136 WeakPolarHBondContact O-CB 3.36Å; L133-M136 PolarHBondContact O-N 2.83Å; L133-M136 VanDerWaalsContact O-N 3.13Å; M136-S139 PolarHBondContact O-OG 3.15Å; M136-G140 PolarHBondContact O-N 3.49Å; M136-Q141 HydrophobicContact CE-CB 3.76Å; M136-Q141 PolarHBondContact O-N 3.29Å; M136-Q141 VanDerWaalsContact O-N 3.13Å; M136-L142 HydrophobicContact CB-CB 3.99Å; M136-L142 PolarHBondContact O-N 2.88Å
137M92.3Very high91.9Very high16 Ų1657.7 Ų57.78%0.07932%0.32CS..Hα-helixtrans-74.8-44.1175.8-59.1-175.883.600112.5F88 K123 L133 R134 K135 S139 G140 L142 F144F88-M137 HydrophobicContact CE1-CE 4Å; F88-M137 HydrophobicContact CZ-CE 4Å; F88-M137 HydrophobicContact CZ-SD 4.27Å; K123-M137 HydrophobicContact CD-SD 3.73Å; K123-M137 WeakPolarHBondContact CE-SD 3.41Å; K123-M137 HydrophobicContact CG-SD 4.33Å; K123-M137 PolarHBondContact NZ-SD 2.9Å; L133-M137 WeakPolarHBondContact O-CG 3.33Å; L133-M137 PolarHBondContact O-N 3.01Å; R134-M137 PolarHBondContact O-N 2.83Å; K135-M137 VanDerWaalsContact C-N 3.29Å; K135-M137 PolarHBondContact O-N 3.39Å; M137-S139 VanDerWaalsContact C-N 3.27Å; M137-S139 PolarHBondContact O-N 2.81Å; M137-G140 PolarHBondContact O-N 2.83Å; M137-L142 VanDerWaalsContact CA-O 3.26Å; M137-L142 WeakPolarHBondContact CA-O 3.32Å; M137-L142 VanDerWaalsContact CG-O 3.31Å; M137-L142 WeakPolarHBondContact CG-O 3.33Å; M137-F144 HydrophobicContact CE-CD1 4.22Å; M137-F144 HydrophobicContact CE-CD2 3.79Å; M137-F144 HydrophobicContact CE-CE1 3.88Å; M137-F144 HydrophobicContact CE-CE2 3.41Å; M137-F144 VanDerWaalsContact CE-CE2 3.41Å; M137-F144 HydrophobicContact CE-CG 4.2Å; M137-F144 HydrophobicContact CE-CZ 3.5Å
138D89.7Confident91.4Very high87 Ų8757.7 Ų57.747%0.46534%0.337SS..Hα-helixtrans-68.8-26.3179.4-63.6-34.8000112R134 K135R134-D138 WeakPolarHBondContact CG-OD2 3.48Å; R134-D138 IonicContact CZ-OD1 3.83Å; R134-D138 IonicContact CZ-OD2 2.67Å; R134-D138 IonicContact NE-OD1 3.55Å; R134-D138 PolarHBondContact NE-OD1 3.31Å; R134-D138 IonicContact NE-OD2 3.86Å; R134-D138 PolarHBondContact NE-OD2 2.76Å; R134-D138 IonicContact NH2-OD1 3.59Å; R134-D138 PolarHBondContact NH2-OD1 3.32Å; R134-D138 IonicContact NH2-OD2 3.01Å; R134-D138 VanDerWaalsContact O-CG 3.25Å; R134-D138 PolarHBondContact O-N 3.41Å; K135-D138 PolarHBondContact O-N 3.17Å
139S89.6Confident91.1Very high61 Ų6161.8 Ų61.843%0.42736%0.363SS..THydrogen-bonded Turntrans-85.5-3173.269.10000114.8K135 M136 M137 Q141K135-S139 WeakPolarHBondContact O-CB 3.27Å; K135-S139 PolarHBondContact O-N 3.2Å; K135-S139 PolarHBondContact O-OG 3.41Å; M136-S139 PolarHBondContact O-OG 3.15Å; M137-S139 VanDerWaalsContact C-N 3.27Å; M137-S139 PolarHBondContact O-N 2.81Å; S139-Q141 PolarHBondContact O-N 2.97Å
140G86.4Confident90.9Very high49 Ų4961.3 Ų61.351%0.50534%0.341SS..THydrogen-bonded Turntrans73.9-4.7-177.400000115.9M136 M137 L142M136-G140 PolarHBondContact O-N 3.49Å; M137-G140 PolarHBondContact O-N 2.83Å; G140-L142 PolarHBondContact O-N 3.12Å
141Q87.9Confident90.8Very high144 Ų14461.5 Ų61.567%0.67334%0.335SS*.SBendtrans-66.1-20.3178.2-68178.25.200113.3M136 S139M136-Q141 HydrophobicContact CE-CB 3.76Å; M136-Q141 PolarHBondContact O-N 3.29Å; M136-Q141 VanDerWaalsContact O-N 3.13Å; S139-Q141 PolarHBondContact O-N 2.97Å
142L91.2Very high90.5Very high13 Ų1361.8 Ų61.87%0.06834%0.337CS..SBendtrans-147.996.3172-179.681.7000109.9L83 V85 F88 M128 L133 M136 M137 G140L83-L142 HydrophobicContact CD2-CD2 3.95Å; V85-L142 HydrophobicContact CG2-CD1 4.37Å; F88-L142 HydrophobicContact CE1-CD2 4.37Å; F88-L142 HydrophobicContact CE1-CG 4.48Å; M128-L142 HydrophobicContact CE-CD1 4.31Å; M128-L142 HydrophobicContact CE-CD2 3.6Å; M128-L142 HydrophobicContact SD-CD2 4.2Å; L133-L142 HydrophobicContact CD1-CD2 3.45Å; L133-L142 VanDerWaalsContact CD1-CD2 3.45Å; L133-L142 HydrophobicContact CG-CD2 4.35Å; M136-L142 HydrophobicContact CB-CB 3.99Å; M136-L142 PolarHBondContact O-N 2.88Å; M137-L142 VanDerWaalsContact CA-O 3.26Å; M137-L142 WeakPolarHBondContact CA-O 3.32Å; M137-L142 VanDerWaalsContact CG-O 3.31Å; M137-L142 WeakPolarHBondContact CG-O 3.33Å; G140-L142 PolarHBondContact O-N 3.12Å
143D91.8Very high90Very high42 Ų4265 Ų6523%0.22536%0.356CS..  trans-94.3174.3167.4-148.1-15.1000111.3H147 R168D143-H147 IonicContact OD1-CE1 2.85Å; D143-H147 PolarHBondContact OD1-CE1 2.87Å; D143-H147 IonicContact OD1-CG 2.75Å; D143-H147 IonicContact OD1-ND1 3.95Å; D143-H147 PolarHBondContact OD1-ND1 2.67Å; D143-H147 IonicContact OD2-CG 2.67Å; D143-H147 IonicContact OD2-ND1 3.31Å; D143-H147 PolarHBondContact OD2-ND1 3.46Å; D143-R168 IonicContact OD2-CZ 3.93Å; D143-R168 IonicContact OD2-NH1 3.07Å; D143-R168 PolarHBondContact OD2-NH1 3.07Å; D143-R168 IonicContact OD2-NH2 2.79Å; D143-R168 PolarHBondContact OD2-NH2 3.37Å
144F93.2Very high89.7Confident8 Ų870 Ų704%0.03539%0.387CS..  trans-66.4149.8172.1-59.8-78.9000111.7F88 C90 P91 W122 M137 Q146 H147 C155F88-F144 AromaticContact CD1-CD1 3.86Å; F88-F144 HydrophobicContact CD1-CD1 3.86Å; F88-F144 HydrophobicContact CD2-CD1 4.3Å; F88-F144 AromaticContact CE1-CD1 3.59Å; F88-F144 HydrophobicContact CE1-CD1 3.59Å; F88-F144 AromaticContact CE1-CE1 3.98Å; F88-F144 HydrophobicContact CE1-CE1 3.98Å; F88-F144 HydrophobicContact CE1-CG 4.26Å; F88-F144 HydrophobicContact CE2-CD1 4.06Å; F88-F144 AromaticContact CE2-CE1 3.92Å; F88-F144 HydrophobicContact CE2-CE1 3.92Å; F88-F144 HydrophobicContact CG-CD1 4.21Å; F88-F144 AromaticContact CZ-CD1 3.7Å; F88-F144 HydrophobicContact CZ-CD1 3.7Å; F88-F144 AromaticContact CZ-CE1 3.61Å; F88-F144 HydrophobicContact CZ-CE1 3.61Å; F88-F144 CarbonylContact O-C 3.6Å; F88-F144 VanDerWaalsContact O-CA 3.27Å; F88-F144 WeakPolarHBondContact O-CA 3.31Å; F88-F144 WeakPolarHBondContact O-CB 3.42Å; F88-F144 WeakPolarHBondContact O-CD1 3.47Å; C90-F144 HydrophobicContact CB-CB 4.02Å; C90-F144 HydrophobicContact CB-CD1 4.24Å; C90-F144 HydrophobicContact CB-CD2 3.71Å; C90-F144 HydrophobicContact CB-CE2 4.09Å; C90-F144 HydrophobicContact CB-CG 3.75Å; C90-F144 HydrophobicContact CB-CZ 4.49Å; P91-F144 VanDerWaalsContact C-CE1 3.46Å; W122-F144 HydrophobicContact CH2-CE1 4.45Å; M137-F144 HydrophobicContact CE-CD1 4.22Å; M137-F144 HydrophobicContact CE-CD2 3.79Å; M137-F144 HydrophobicContact CE-CE1 3.88Å; M137-F144 HydrophobicContact CE-CE2 3.41Å; M137-F144 VanDerWaalsContact CE-CE2 3.41Å; M137-F144 HydrophobicContact CE-CG 4.2Å; M137-F144 HydrophobicContact CE-CZ 3.5Å; F144-Q146 PolarHBondContact O-N 3.2Å; F144-H147 HydrophobicContact CB-CB 4.01Å; F144-H147 AromaticContact CD2-CD2 3.88Å; F144-H147 AromaticContact CD2-CE1 3.7Å; F144-H147 AromaticContact CD2-CG 3.95Å; F144-H147 AromaticContact CD2-ND1 3.85Å; F144-H147 AromaticContact CD2-NE2 3.71Å; F144-H147 WeakPolarHBondContact O-CB 3.34Å; F144-H147 PolarHBondContact O-N 2.85Å; F144-H147 VanDerWaalsContact O-N 3.15Å; F144-C155 HydrophobicContact CE2-CB 3.55Å; F144-C155 HydrophobicContact CZ-CB 3.85Å
145Y92.4Very high89.3Confident96 Ų9668.8 Ų68.838%0.37638%0.384SS..THydrogen-bonded Turntrans-57.5125.3171.8-172.6-104.2000110.5K86 F88 V89 H147K86-Y145 HydrophobicContact CG-CE2 4.47Å; F88-Y145 PolarHBondContact O-N 2.79Å; V89-Y145 HydrophobicContact CG2-CD1 4.47Å; Y145-H147 VanDerWaalsContact C-N 3.26Å; Y145-H147 PolarHBondContact O-N 3.03Å
146Q90Very high88.8Confident97 Ų9765.4 Ų65.445%0.45337%0.367SS..THydrogen-bonded Turntrans51.438.3-177-64.9177.5-13.500113.9F144 S148 T149 L150F144-Q146 PolarHBondContact O-N 3.2Å; Q146-S148 PolarHBondContact O-N 2.89Å; Q146-S148 VanDerWaalsContact O-N 3.1Å; Q146-T149 PolarHBondContact O-N 3.3Å; Q146-T149 PolarHBondContact O-OG1 2.94Å; Q146-L150 HydrophobicContact CB-CD1 3.94Å; Q146-L150 HydrophobicContact CB-CG 4.05Å; Q146-L150 PolarHBondContact O-N 2.91Å
147H90.8Very high87.4Confident19 Ų1966.8 Ų66.89%0.08838%0.38CS..THydrogen-bonded Turntrans-56.1-31.7-175.5-166.4-169.1000114.5D143 F144 Y145 T149 C151 C155D143-H147 IonicContact OD1-CE1 2.85Å; D143-H147 PolarHBondContact OD1-CE1 2.87Å; D143-H147 IonicContact OD1-CG 2.75Å; D143-H147 IonicContact OD1-ND1 3.95Å; D143-H147 PolarHBondContact OD1-ND1 2.67Å; D143-H147 IonicContact OD2-CG 2.67Å; D143-H147 IonicContact OD2-ND1 3.31Å; D143-H147 PolarHBondContact OD2-ND1 3.46Å; F144-H147 HydrophobicContact CB-CB 4.01Å; F144-H147 AromaticContact CD2-CD2 3.88Å; F144-H147 AromaticContact CD2-CE1 3.7Å; F144-H147 AromaticContact CD2-CG 3.95Å; F144-H147 AromaticContact CD2-ND1 3.85Å; F144-H147 AromaticContact CD2-NE2 3.71Å; F144-H147 WeakPolarHBondContact O-CB 3.34Å; F144-H147 PolarHBondContact O-N 2.85Å; F144-H147 VanDerWaalsContact O-N 3.15Å; Y145-H147 VanDerWaalsContact C-N 3.26Å; Y145-H147 PolarHBondContact O-N 3.03Å; H147-T149 VanDerWaalsContact C-N 3.28Å; H147-T149 PolarHBondContact O-N 3.4Å; H147-C151 WeakPolarHBondContact O-CB 3.3Å; H147-C151 PolarHBondContact O-N 2.86Å; H147-C155 PolarHBondContact NE2-SG 3.47Å
148S86.2Confident85.7Confident108 Ų10872.7 Ų72.776%0.75542%0.417SS*.THydrogen-bonded Turntrans-62.7-30.4178.2470000113.9Q146Q146-S148 PolarHBondContact O-N 2.89Å; Q146-S148 VanDerWaalsContact O-N 3.1Å
149T88.4Confident84Confident107 Ų10778 Ų7866%0.65644%0.436SS*.THydrogen-bonded Turntrans-109.2-27.1-178.754.70000113.1Q146 H147Q146-T149 PolarHBondContact O-N 3.3Å; Q146-T149 PolarHBondContact O-OG1 2.94Å; H147-T149 VanDerWaalsContact C-N 3.28Å; H147-T149 PolarHBondContact O-N 3.4Å
150L87.3Confident82Confident71 Ų7182 Ų8237%0.37245%0.446SS..SBendtrans-105.122.5-177.6-55.6-175.7000113.4V89 C90 Q146 T152V89-L150 HydrophobicContact CG1-CB 4.06Å; V89-L150 HydrophobicContact CG1-CD1 3.86Å; C90-L150 WeakPolarHBondContact CB-O 3.38Å; Q146-L150 HydrophobicContact CB-CD1 3.94Å; Q146-L150 HydrophobicContact CB-CG 4.05Å; Q146-L150 PolarHBondContact O-N 2.91Å; L150-T152 PolarHBondContact O-N 3.26Å
151C90Very high80.4Confident45 Ų4580.1 Ų80.130%0.30442%0.424SS..  trans-67.9127.5176.6-168.10000111.9H147 N153H147-C151 WeakPolarHBondContact O-CB 3.3Å; H147-C151 PolarHBondContact O-N 2.86Å; C151-N153 PolarHBondContact SG-N 3.49Å; C151-N153 PolarHBondContact SG-OD1 3.48Å
152T87.1Confident78.8Confident65 Ų6580 Ų8040%0.39943%0.427SS..  trans-94.43.8171.760.40000113.4C90 P91 L150 T154C90-T152 PolarHBondContact SG-N 3.07Å; C90-T152 VanDerWaalsContact SG-N 3.38Å; C90-T152 PolarHBondContact SG-OG1 2.81Å; C90-T152 VanDerWaalsContact SG-OG1 3.4Å; P91-T152 WeakPolarHBondContact CD-OG1 3.42Å; L150-T152 PolarHBondContact O-N 3.26Å; T152-T154 PolarHBondContact O-N 2.74Å; T152-T154 PolarHBondContact OG1-OG1 2.92Å; T152-T154 VanDerWaalsContact OG1-OG1 3.14Å
153N84.4Confident77.1Confident134 Ų13486.3 Ų86.372%0.71746%0.46SS*.SBendtrans55.4-3.3-175.4-63.6-41.3000116.7C151C151-N153 PolarHBondContact SG-N 3.49Å; C151-N153 PolarHBondContact SG-OD1 3.48Å
154T86.6Confident75.3Confident106 Ų10688.1 Ų88.165%0.6547%0.469SS*.  trans-91.20.9176.760.60000114T152T152-T154 PolarHBondContact O-N 2.74Å; T152-T154 PolarHBondContact OG1-OG1 2.92Å; T152-T154 VanDerWaalsContact OG1-OG1 3.14Å
155C85.2Confident73Confident13 Ų1391 Ų919%0.08849%0.485CS..SBendtrans-90.3-17.6-170.362.50000115.3C90 P91 K123 F144 H147C90-C155 WeakPolarHBondContact SG-CB 3.42Å; C90-C155 PolarHBondContact SG-SG 2.58Å; P91-C155 HydrophobicContact CB-CB 3.9Å; K123-C155 PolarHBondContact NZ-O 2.98Å; F144-C155 HydrophobicContact CE2-CB 3.55Å; F144-C155 HydrophobicContact CZ-CB 3.85Å; H147-C155 PolarHBondContact NE2-SG 3.47Å
156R81.4Confident70.4Confident66 Ų6693.6 Ų93.625%0.24951%0.505CS..SBendtrans-91.8147.7169.7-76.9-172.6179.2-85.30.7109.6D161R156-D161 HydrophobicContact CB-CB 3.94Å; R156-D161 WeakPolarHBondContact CD-OD1 3.14Å; R156-D161 HydrophobicContact CG-CB 4.39Å; R156-D161 IonicContact CZ-OD1 3.72Å; R156-D161 IonicContact NE-OD1 3.62Å; R156-D161 IonicContact NH1-OD1 2.74Å; R156-D161 PolarHBondContact NH1-OD1 2.93Å
157S63.9Low68.1Low56 Ų5694.9 Ų94.939%0.39252%0.52SS..  trans-88123.7-174.150.70000110.8R134 K159 D161R134-S157 PolarHBondContact NH1-OG 3.09Å; S157-K159 PolarHBondContact O-N 3.43Å; S157-D161 PolarHBondContact N-OD2 2.9Å; S157-D161 VanDerWaalsContact O-OD2 3.1Å; S157-D161 PolarHBondContact OG-OD2 2.83Å
158T56.8Low66Low139 Ų13999.4 Ų99.485%0.85354%0.536SS*.THydrogen-bonded Turntrans-72.332.7-162.451.60000116.5
159K52.4Low63.4Low200 Ų200103.6 Ų103.687%0.8754%0.541SS*.THydrogen-bonded Turntrans-1411-179-133.6-172.5-178.2-170.50117.5S157S157-K159 PolarHBondContact O-N 3.43Å
160F49Very low61.2Low145 Ų145102.7 Ų102.764%0.63654%0.537SS*.THydrogen-bonded Turntrans-146.5-36.2176.1-164.1-100.6000112.4L162 L163 I164F160-L162 PolarHBondContact O-N 3.47Å; F160-L163 PolarHBondContact O-N 2.92Å; F160-I164 HydrophobicContact CD1-CD1 4.13Å; F160-I164 HydrophobicContact CE1-CD1 4.16Å
161D51.9Low59.5Low9 Ų9104.8 Ų104.85%0.04856%0.555CS.*G310 helixtrans-56.6-19.6-177.1-77.8-86.5000115.5R134 R156 S157 L163 I164 N165R134-D161 IonicContact CZ-OD2 2.76Å; R134-D161 IonicContact NH1-OD2 2.7Å; R134-D161 IonicContact NH2-OD1 3.46Å; R134-D161 PolarHBondContact NH2-OD1 2.87Å; R134-D161 IonicContact NH2-OD2 3.44Å; R134-D161 PolarHBondContact NH2-OD2 3.02Å; R134-D161 VanDerWaalsContact NH2-OD2 3.07Å; R156-D161 HydrophobicContact CB-CB 3.94Å; R156-D161 WeakPolarHBondContact CD-OD1 3.14Å; R156-D161 HydrophobicContact CG-CB 4.39Å; R156-D161 IonicContact CZ-OD1 3.72Å; R156-D161 IonicContact NE-OD1 3.62Å; R156-D161 IonicContact NH1-OD1 2.74Å; R156-D161 PolarHBondContact NH1-OD1 2.93Å; S157-D161 PolarHBondContact N-OD2 2.9Å; S157-D161 VanDerWaalsContact O-OD2 3.1Å; S157-D161 PolarHBondContact OG-OD2 2.83Å; D161-L163 VanDerWaalsContact C-N 3.34Å; D161-L163 PolarHBondContact O-N 3.32Å; D161-I164 PolarHBondContact O-N 2.87Å; D161-I164 VanDerWaalsContact O-N 3.13Å; D161-N165 PolarHBondContact O-N 2.69Å
162L54.1Low57Low140 Ų140110.5 Ų110.573%0.73358%0.583SS**G310 helixtrans-63-34.4-178.3-72.6175000113.8F160 I164 N165F160-L162 PolarHBondContact O-N 3.47Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 PolarHBondContact O-N 2.75Å; L162-N165 PolarHBondContact O-N 2.99Å
163L55.4Low54.5Low147 Ų147112.7 Ų112.777%0.7760%0.6SS**G310 helixtrans-72.4-24.7177-73.3155.1000112.2F160 D161F160-L163 PolarHBondContact O-N 2.92Å; D161-L163 VanDerWaalsContact C-N 3.34Å; D161-L163 PolarHBondContact O-N 3.32Å
164I54.1Low52.2Low80 Ų80113.7 Ų113.741%0.4161%0.612SS.*THydrogen-bonded Turntrans-89-22.5-179.8-57.9169.4000110.5F160 D161 L162 N166 T167F160-I164 HydrophobicContact CD1-CD1 4.13Å; F160-I164 HydrophobicContact CE1-CD1 4.16Å; D161-I164 PolarHBondContact O-N 2.87Å; D161-I164 VanDerWaalsContact O-N 3.13Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 PolarHBondContact O-N 2.75Å; I164-N166 PolarHBondContact O-N 3.03Å; I164-N166 VanDerWaalsContact O-N 3.16Å; I164-T167 PolarHBondContact O-N 3.06Å; I164-T167 PolarHBondContact O-OG1 2.85Å; I164-T167 VanDerWaalsContact O-OG1 3.13Å
165N45.1Very low49.6Very low69 Ų69112 Ų11237%0.36962%0.615SS.*G310 helixtrans-66.2-18.8-175.8-156.388.5000113.8D161 L162 T167 R168D161-N165 PolarHBondContact O-N 2.69Å; L162-N165 PolarHBondContact O-N 2.99Å; N165-T167 PolarHBondContact O-N 2.78Å; N165-T167 VanDerWaalsContact O-N 3.14Å; N165-R168 PolarHBondContact O-N 3.38Å
166N37.9Very low47.3Very low149 Ų149118.9 Ų118.980%0.79765%0.65SS**G310 helixtrans-66.1-10.4177.7-76.110.5000114.1I164I164-N166 PolarHBondContact O-N 3.03Å; I164-N166 VanDerWaalsContact O-N 3.16Å
167T41.8Very low44.9Very low124 Ų124122 Ų12276%0.76168%0.677SS**G310 helixtrans-105.45.8174.960.60000114.2I164 N165I164-T167 PolarHBondContact O-N 3.06Å; I164-T167 PolarHBondContact O-OG1 2.85Å; I164-T167 VanDerWaalsContact O-OG1 3.13Å; N165-T167 PolarHBondContact O-N 2.78Å; N165-T167 VanDerWaalsContact O-N 3.14Å
168R46Very low43.4Very low114 Ų114125.2 Ų125.243%0.4369%0.694SS.*SBendtrans-135.197.8174.6-169.8179.9-79.6-160.3-2.2110.6D143 N165D143-R168 IonicContact OD2-CZ 3.93Å; D143-R168 IonicContact OD2-NH1 3.07Å; D143-R168 PolarHBondContact OD2-NH1 3.07Å; D143-R168 IonicContact OD2-NH2 2.79Å; D143-R168 PolarHBondContact OD2-NH2 3.37Å; N165-R168 PolarHBondContact O-N 3.38Å
169F33.4Very low42.2Very low196 Ų196124.7 Ų124.786%0.8669%0.693SS**PPolyproline II helixtrans-53.9134.9179.7-66.9-89.6000112.8
170P41.9Very low41.2Very low88 Ų88121.6 Ų121.657%0.57169%0.691SS**PPolyproline II helixtrans-79.2150.8159.834.4-32.4000110.4
171P51.2Low40.1Very low115 Ų115120 Ų12075%0.74770%0.698SS**PPolyproline II helixtrans-75.8137.4165.931.5-32.6000110.5
172D37Very low39.1Very low166 Ų166125.4 Ų125.489%0.88874%0.736SS**PPolyproline II helixtrans-70.9132.9-178.6-72.8-60000113.2
173S34.2Very low38Very low110 Ų110128.1 Ų128.177%0.76975%0.745SS**  trans-139115.8156.471.50000109.6G175S173-G175 PolarHBondContact O-N 2.93Å
174T36.6Very low36.7Very low156 Ų156127.4 Ų127.496%0.95775%0.746SS**  trans-56117.9-169.5-47.20000113.4
175G31.8Very low35.5Very low69 Ų69131.5 Ų131.571%0.71176%0.764SS**  trans-154.583.2-179.300000112.8S173 T177S173-G175 PolarHBondContact O-N 2.93Å; G175-T177 PolarHBondContact O-N 2.91Å; G175-T177 VanDerWaalsContact O-N 3.17Å
176L37.7Very low34.7Very low159 Ų159134.4 Ų134.483%0.83278%0.784SS**  trans-71.3102.9-172.6-178.476.5000113.3
177T31.6Very low34.4Very low131 Ų131132.1 Ų132.180%0.80478%0.775SS**  trans-146.3107.1149.442.80000111.4G175G175-T177 PolarHBondContact O-N 2.91Å; G175-T177 VanDerWaalsContact O-N 3.17Å
178T32Very low33.9Very low123 Ų123134.2 Ų134.276%0.75578%0.781SS**  trans-94.1121.4169.939.20000110.6T180T178-T180 PolarHBondContact O-N 2.9Å
179P31.9Very low33Very low128 Ų128132.2 Ų132.283%0.83180%0.796SS**  trans-84.487.4166.232.7-30.7000109.4S181P179-S181 PolarHBondContact O-N 3.49Å
180T29.9Very low33.1Very low136 Ų136131.2 Ų131.283%0.83480%0.799SS**  trans-69.4128.9165.7-173.40000109.7T178T178-T180 PolarHBondContact O-N 2.9Å
181S26.7Very low32.4Very low111 Ų111131 Ų13178%0.77681%0.813SS**  trans-158.186.4172.7-169.20000111P179P179-S181 PolarHBondContact O-N 3.49Å
182S30.6Very low31.3Very low122 Ų122129 Ų12985%0.85381%0.813SS**  trans-164.168.9164.6-80.20000109.4
183Q30.2Very low30.9Very low197 Ų197127.3 Ų127.392%0.92181%0.809SS**  trans-137.2141.7164.6-130.8176.919.100111.6
184V30.2Very low30.7Very low132 Ų132128.2 Ų128.280%0.881%0.81SS**  trans-74.9138.1-169.1176.10000110.8T186V184-T186 PolarHBondContact O-N 3.37Å; V184-T186 VanDerWaalsContact O-N 3.14Å
185H27Very low30.3Very low167 Ų167127 Ų12777%0.77380%0.802SS**  trans-78.694.7-178.1-180-81.6000111.8V187H185-V187 VanDerWaalsContact CE1-CG2 3.43Å; H185-V187 WeakPolarHBondContact CE1-CG2 3.27Å
186T29.5Very low30.2Very low129 Ų129130.5 Ų130.579%0.79181%0.805SS**  trans-108.5128.7168.5-53.10000109.7V184V184-T186 PolarHBondContact O-N 3.37Å; V184-T186 VanDerWaalsContact O-N 3.14Å
187V31.1Very low29.8Very low101 Ų101130.7 Ų130.761%0.61281%0.806SS**  trans-89.5132.7-172.9179.20000111.2H185H185-V187 VanDerWaalsContact CE1-CG2 3.43Å; H185-V187 WeakPolarHBondContact CE1-CG2 3.27Å
188L32.2Very low30Very low169 Ų169134.8 Ų134.889%0.88581%0.807SS**  trans178.3150.6131.2-11983.6000112.9
189G26.9Very low29.8Very low72 Ų72133.9 Ų133.974%0.74281%0.812SS**  trans96.1103.4137.400000120
190N34.5Very low29.8Very low174 Ų174135.9 Ų135.993%0.9381%0.811SS**  trans-52.2147172.7-58.5-14.1000117.3
191G28.7Very low29.7Very low83 Ų83136.8 Ų136.886%0.85681%0.809SS**  115.3142.7117.600000119.4
192G28Very low29.8Very low73 Ų73140 Ų14075%0.75381%0.814SS**  trans134.5108.9158.500000117.7
193T28.1Very low30Very low131 Ų131138 Ų13880%0.80481%0.813SS**  trans-7.3131.7147.847.10000118.8
194V30.8Very low29.8Very low129 Ų129138.9 Ų138.978%0.78281%0.808SS**  85.5150.660.3168.90000113.5
195T27.8Very low30.1Very low131 Ų131141.7 Ų141.780%0.80481%0.809SS**  trans70.1121.9-166.358.10000114.1
196D29.4Very low30.3Very low143 Ų143139.8 Ų139.877%0.76580%0.804SS**  cis79.4111.334.7-158.4-4.8000112.9
197D29.9Very low30.3Very low162 Ų162140.1 Ų140.187%0.86680%0.801SS**  -165.3170.9123.9-132.7-52.8000112.6
198R34.6Very low30Very low218 Ų218147.1 Ų147.182%0.82382%0.817SS**  trans-133.8122.9-161.3167.6-169.2172.3171.9-0.8112.7
199A28.6Very low29.9Very low104 Ų104143.9 Ų143.986%0.8681%0.808SS**  trans-149146.5166.100000113.3
200E30.6Very low29.8Very low170 Ų170146 Ų14679%0.79481%0.812SS**  trans-89159172.5-54.5176.9162.700110.6
201L28.9Very low29.5Very low154 Ų154142.9 Ų142.981%0.80680%0.803SS**  177.4166.4104.6-164.753.4000111.3
202M28.2Very low29.4Very low178 Ų178144.8 Ų144.888%0.87780%0.803SS**  trans-54150.1-171.8-59.7-177.2-178.100117
203G34.1Very low29.6Very low80 Ų80149 Ų14983%0.82581%0.806SS**  85.188.6122.100000117.2
204R25.9Very low29.7Very low216 Ų216151.6 Ų151.682%0.81581%0.808SS**  trans-141.9105.2166.9-164.5163.8176.2166.2-4.7113.3L206R204-L206 HydrophobicContact CG-CD1 4.44Å; R204-L206 HydrophobicContact CG-CG 4.3Å; R204-L206 PolarHBondContact O-N 3.44Å
205K37.7Very low29.9Very low192 Ų192151.2 Ų151.284%0.83581%0.812SS**  trans-61.3110.9164.1172.2-159.6170.5-169.50109.7
206L31.3Very low30Very low127 Ų127148.3 Ų148.367%0.66581%0.807SS**  trans-145.4123.9159.3-67.5175.3000104.7R204R204-L206 HydrophobicContact CG-CD1 4.44Å; R204-L206 HydrophobicContact CG-CG 4.3Å; R204-L206 PolarHBondContact O-N 3.44Å
207D28.6Very low30.7Very low135 Ų135149.2 Ų149.272%0.72281%0.812SS**  cis67.188.639.7-142.3-14.1000110.4
208W26.3Very low31.1Very low249 Ų249151.1 Ų151.194%0.94381%0.813SS**  trans-102.4104.1-176.2-170.6-61.4000109.7S210W208-S210 PolarHBondContact O-N 3.41Å
209S28.6Very low31.4Very low100 Ų100150.6 Ų150.670%0.69982%0.817SS**  trans-62.3131.5179.6-53.20000112.5
210S25.5Very low31.6Very low118 Ų118149.3 Ų149.383%0.82581%0.813SS**  trans-83.4117.9162.5-176.50000109.6W208W208-S210 PolarHBondContact O-N 3.41Å
211S27.4Very low32.3Very low107 Ų107144.8 Ų144.875%0.74880%0.801SS**  trans162.7118.9136.861.10000111.8
212S26.9Very low33.3Very low123 Ų123143.4 Ų143.486%0.8680%0.804SS**  trans-146.9122.3135.1-168.30000107.1
213M32.2Very low34.9Very low163 Ų163142.6 Ų142.680%0.80380%0.798SS**  trans-75.4138.417864.1-155.978.500110.5
214E29.8Very low36.6Very low184 Ų184144.1 Ų144.186%0.8679%0.786SS**  trans-147159136.4-88.6-63.862.500107.5
215S36Very low39.3Very low122 Ų122136.5 Ų136.585%0.85377%0.766SS**  trans-77151.6-159.558.40000115.7
216G29.7Very low41.6Very low69 Ų69134.3 Ų134.371%0.71176%0.758SS**  trans160.374.7173.300000114.5K218G216-K218 PolarHBondContact O-N 3.21Å; G216-K218 VanDerWaalsContact O-N 3.07Å
217D45.1Very low44.3Very low163 Ų163134.4 Ų134.487%0.87276%0.76SS**  trans-57.4111.9174.7-80.4-85.5000112.7
218K38.3Very low47.1Very low201 Ų201130.6 Ų130.687%0.87474%0.742SS**  trans-152.783.6154.5-112.5153.5-170.5174.50110.7G216 G220G216-K218 PolarHBondContact O-N 3.21Å; G216-K218 VanDerWaalsContact O-N 3.07Å; K218-G220 PolarHBondContact O-N 2.97Å
219K40.1Very low49.9Very low207 Ų207123.2 Ų123.290%0.972%0.72SS**  trans-52.4100.1158.7176.2-179.2177.2-178.60107.8S221K219-S221 VanDerWaalsContact C-N 3.28Å; K219-S221 PolarHBondContact O-N 3.34Å
220G33.3Very low52.8Low77 Ų77122.4 Ų122.479%0.79471%0.708SS**  trans-66.985-179.900000110.9K218K218-G220 PolarHBondContact O-N 2.97Å
221S44.3Very low55.9Low76 Ų76122.7 Ų122.753%0.53169%0.694SS.*  trans-56.1138.2165.2-167.10000108.4K219 E223K219-S221 VanDerWaalsContact C-N 3.28Å; K219-S221 PolarHBondContact O-N 3.34Å; S221-E223 PolarHBondContact O-N 2.92Å
222S51.1Low59Low124 Ų124122.3 Ų122.387%0.86768%0.677SS**  trans-78.867.4165-157.80000107.5I224S222-I224 PolarHBondContact O-N 3.41Å; S222-I224 VanDerWaalsContact O-N 3.17Å
223E60.3Low62Low162 Ų162122.1 Ų122.176%0.75766%0.66SS**  trans-67.1112.7-178.5-104165.8171.900109.1S221 S225S221-E223 PolarHBondContact O-N 2.92Å; E223-S225 PolarHBondContact O-N 3.28Å
224I70.6Confident64.8Low112 Ų112115.9 Ų115.957%0.57464%0.638SS**  trans-54.6125169.4-60.6168.8000106.7S222 E226 T228 L229S222-I224 PolarHBondContact O-N 3.41Å; S222-I224 VanDerWaalsContact O-N 3.17Å; I224-E226 PolarHBondContact O-N 2.83Å; I224-T228 HydrophobicContact CG2-CG2 3.79Å; I224-L229 HydrophobicContact CB-CD2 4.3Å; I224-L229 HydrophobicContact CG2-CD2 3.8Å; I224-L229 HydrophobicContact CG2-CG 4.03Å
225S82.9Confident67.6Low55 Ų55108.5 Ų108.539%0.38560%0.604SS.*  trans-58.5143.2-17367.50000111.3E223 D227 T228 L229E223-S225 PolarHBondContact O-N 3.28Å; S225-D227 PolarHBondContact O-N 3.46Å; S225-T228 WeakPolarHBondContact O-CA 3.33Å; S225-T228 VanDerWaalsContact O-CB 3.3Å; S225-T228 WeakPolarHBondContact O-CB 3.47Å; S225-T228 PolarHBondContact O-N 2.9Å; S225-T228 PolarHBondContact OG-N 3.47Å; S225-T228 PolarHBondContact OG-OG1 3.45Å; S225-L229 PolarHBondContact O-N 3.02Å; S225-L229 VanDerWaalsContact O-N 3.12Å
226E86.3Confident70Confident146 Ų146104.9 Ų104.968%0.68258%0.581SS**Hα-helixtrans-56.5-35.7-179.9-158.6-172.3146.100111.3I224 T228 L229 N230I224-E226 PolarHBondContact O-N 2.83Å; E226-T228 VanDerWaalsContact C-N 3.31Å; E226-T228 PolarHBondContact O-N 2.93Å; E226-L229 PolarHBondContact O-N 3.26Å; E226-N230 WeakPolarHBondContact O-CB 3.42Å; E226-N230 PolarHBondContact O-N 3.24Å; E226-N230 PolarHBondContact O-ND2 3Å; E226-N230 VanDerWaalsContact O-ND2 3.17Å
227D86.5Confident72.9Confident129 Ų129107.2 Ų107.269%0.6958%0.577SS**Hα-helixtrans-57.4-39.9171.7-55.5-58.1000113.1S225 F231S225-D227 PolarHBondContact O-N 3.46Å; D227-F231 WeakPolarHBondContact O-CB 3.49Å; D227-F231 PolarHBondContact O-N 3.21Å
228T88.1Confident75Confident56 Ų56104.5 Ų104.534%0.34457%0.567SS.*Hα-helixtrans-69.7-40.6178.1-56.90000110.7I224 S225 E226 F231 W232I224-T228 HydrophobicContact CG2-CG2 3.79Å; S225-T228 WeakPolarHBondContact O-CA 3.33Å; S225-T228 VanDerWaalsContact O-CB 3.3Å; S225-T228 WeakPolarHBondContact O-CB 3.47Å; S225-T228 PolarHBondContact O-N 2.9Å; S225-T228 PolarHBondContact OG-N 3.47Å; S225-T228 PolarHBondContact OG-OG1 3.45Å; E226-T228 VanDerWaalsContact C-N 3.31Å; E226-T228 PolarHBondContact O-N 2.93Å; T228-F231 PolarHBondContact O-N 2.92Å; T228-W232 PolarHBondContact O-N 2.84Å; T228-W232 VanDerWaalsContact O-N 3.09Å
229L85.8Confident77.4Confident93 Ų9397.9 Ų97.949%0.48756%0.555SS.*Hα-helixtrans-66.7-42.1175.6-61.8177.9000111.3I224 S225 E226 F231 W232 K233I224-L229 HydrophobicContact CB-CD2 4.3Å; I224-L229 HydrophobicContact CG2-CD2 3.8Å; I224-L229 HydrophobicContact CG2-CG 4.03Å; S225-L229 PolarHBondContact O-N 3.02Å; S225-L229 VanDerWaalsContact O-N 3.12Å; E226-L229 PolarHBondContact O-N 3.26Å; L229-F231 VanDerWaalsContact C-N 3.35Å; L229-F231 PolarHBondContact O-N 2.67Å; L229-W232 PolarHBondContact O-N 3.35Å; L229-K233 VanDerWaalsContact O-CB 3.25Å; L229-K233 WeakPolarHBondContact O-CB 3.2Å; L229-K233 PolarHBondContact O-N 2.87Å
230N89.4Confident79.8Confident83 Ų8391.8 Ų91.844%0.44453%0.532SS..Hα-helixtrans-66-34175.6-76.6-39.5000112.5E226 G234E226-N230 WeakPolarHBondContact O-CB 3.42Å; E226-N230 PolarHBondContact O-N 3.24Å; E226-N230 PolarHBondContact O-ND2 3Å; E226-N230 VanDerWaalsContact O-ND2 3.17Å; N230-G234 PolarHBondContact O-N 3.12Å
231F90.6Very high82.5Confident125 Ų12591.2 Ų91.255%0.54851%0.51SS..Hα-helixtrans-63.9-51.2171.6170.1-99.3000112.2D227 T228 L229 K233 G234 I235D227-F231 WeakPolarHBondContact O-CB 3.49Å; D227-F231 PolarHBondContact O-N 3.21Å; T228-F231 PolarHBondContact O-N 2.92Å; L229-F231 VanDerWaalsContact C-N 3.35Å; L229-F231 PolarHBondContact O-N 2.67Å; F231-K233 VanDerWaalsContact C-N 3.3Å; F231-K233 PolarHBondContact O-N 2.98Å; F231-G234 PolarHBondContact O-N 3.15Å; F231-I235 HydrophobicContact CD1-CD1 4.18Å; F231-I235 HydrophobicContact CE1-CD1 3.56Å; F231-I235 HydrophobicContact CE2-CD1 4Å; F231-I235 HydrophobicContact CZ-CD1 3.47Å; F231-I235 VanDerWaalsContact CZ-CD1 3.47Å; F231-I235 PolarHBondContact O-N 2.98Å; F231-I235 VanDerWaalsContact O-N 3.07Å
232W92.8Very high84.6Confident99 Ų9989.9 Ų89.938%0.37551%0.508SS..Hα-helixtrans-64.6-35.9177.1-77.1113.3000112.5T228 L229 I235 A236 L241 V244 I248T228-W232 PolarHBondContact O-N 2.84Å; T228-W232 VanDerWaalsContact O-N 3.09Å; L229-W232 PolarHBondContact O-N 3.35Å; W232-I235 HydrophobicContact CE3-CD1 4.28Å; W232-I235 HydrophobicContact CZ3-CD1 4.4Å; W232-I235 PolarHBondContact O-N 3.22Å; W232-A236 PolarHBondContact O-N 3.36Å; W232-L241 HydrophobicContact CE3-CD1 3.67Å; W232-L241 HydrophobicContact CZ3-CD1 3.92Å; W232-V244 HydrophobicContact CH2-CG1 4.06Å; W232-V244 HydrophobicContact CZ3-CG1 3.8Å; W232-I248 HydrophobicContact CH2-CD1 3.91Å
233K88.1Confident86.5Confident119 Ų11990.6 Ų90.652%0.51750%0.498SS..Hα-helixtrans-61.9-46.1171.4-175-177172.5-173.80111.4L229 F231 I235 A236 D237L229-K233 VanDerWaalsContact O-CB 3.25Å; L229-K233 WeakPolarHBondContact O-CB 3.2Å; L229-K233 PolarHBondContact O-N 2.87Å; F231-K233 VanDerWaalsContact C-N 3.3Å; F231-K233 PolarHBondContact O-N 2.98Å; K233-I235 VanDerWaalsContact C-N 3.27Å; K233-I235 PolarHBondContact O-N 2.96Å; K233-A236 CarbonylContact O-C 3.42Å; K233-A236 WeakPolarHBondContact O-CA 3.28Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 2.92Å; K233-D237 WeakPolarHBondContact CE-OD2 3.45Å; K233-D237 WeakPolarHBondContact O-CB 3.46Å; K233-D237 VanDerWaalsContact O-CG 3.27Å; K233-D237 PolarHBondContact O-N 2.89Å
234G91Very high88.1Confident32 Ų3285 Ų8533%0.3348%0.475SS..Hα-helixtrans-59.3-35.4175.500000113.5N230 F231 V238N230-G234 PolarHBondContact O-N 3.12Å; F231-G234 PolarHBondContact O-N 3.15Å; G234-V238 VanDerWaalsContact O-CG2 3.28Å; G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.33Å
235I88.9Confident89.2Confident29 Ų2983.2 Ų83.215%0.14947%0.469CS..Hα-helixtrans-69.1-36172.9-71.1174000111.8F231 W232 K233 G239 L240 L241 V244F231-I235 HydrophobicContact CD1-CD1 4.18Å; F231-I235 HydrophobicContact CE1-CD1 3.56Å; F231-I235 HydrophobicContact CE2-CD1 4Å; F231-I235 HydrophobicContact CZ-CD1 3.47Å; F231-I235 VanDerWaalsContact CZ-CD1 3.47Å; F231-I235 PolarHBondContact O-N 2.98Å; F231-I235 VanDerWaalsContact O-N 3.07Å; W232-I235 HydrophobicContact CE3-CD1 4.28Å; W232-I235 HydrophobicContact CZ3-CD1 4.4Å; W232-I235 PolarHBondContact O-N 3.22Å; K233-I235 VanDerWaalsContact C-N 3.27Å; K233-I235 PolarHBondContact O-N 2.96Å; I235-G239 PolarHBondContact O-N 3.43Å; I235-L240 HydrophobicContact CG2-CB 4.27Å; I235-L240 PolarHBondContact O-N 2.91Å; I235-L241 HydrophobicContact CG2-CB 4.11Å; I235-L241 HydrophobicContact CG2-CD1 4.14Å; I235-L241 PolarHBondContact O-N 3.14Å; I235-V244 HydrophobicContact CG2-CB 4.4Å; I235-V244 HydrophobicContact CG2-CG2 4.09Å
236A88.1Confident89.6Confident45 Ų4584.9 Ų84.937%0.37248%0.477SS..Hα-helixtrans-71.9-43.3175.600000112.7W232 K233 V238 G239 L241W232-A236 PolarHBondContact O-N 3.36Å; K233-A236 CarbonylContact O-C 3.42Å; K233-A236 WeakPolarHBondContact O-CA 3.28Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 2.92Å; A236-V238 PolarHBondContact O-N 3.31Å; A236-G239 WeakPolarHBondContact O-CA 3.44Å; A236-G239 PolarHBondContact O-N 3.34Å; A236-L241 HydrophobicContact CB-CB 4.37Å; A236-L241 HydrophobicContact CB-CD2 4.11Å
237D89.5Confident89.9Confident118 Ų11882.3 Ų82.363%0.63147%0.468SS*.Hα-helixtrans-64.7-26.7179.3-69-14.8000111.9K233K233-D237 WeakPolarHBondContact CE-OD2 3.45Å; K233-D237 WeakPolarHBondContact O-CB 3.46Å; K233-D237 VanDerWaalsContact O-CG 3.27Å; K233-D237 PolarHBondContact O-N 2.89Å
238V89.2Confident90.3Very high107 Ų10780.1 Ų80.165%0.64846%0.455SS*.THydrogen-bonded Turntrans-90.5-1.4172.4-177.70000112.2G234 A236 L240G234-V238 VanDerWaalsContact O-CG2 3.28Å; G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.33Å; A236-V238 PolarHBondContact O-N 3.31Å; V238-L240 VanDerWaalsContact C-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.88Å; V238-L240 HydrophobicContact CG1-CG 4.09Å; V238-L240 PolarHBondContact O-N 3.4Å
239G88.9Confident90.5Very high61 Ų6182 Ų8263%0.62946%0.463SS*.THydrogen-bonded Turntrans78.8-2.5176.500000115.8I235 A236 L241I235-G239 PolarHBondContact O-N 3.43Å; A236-G239 WeakPolarHBondContact O-CA 3.44Å; A236-G239 PolarHBondContact O-N 3.34Å; G239-L241 VanDerWaalsContact C-N 3.27Å; G239-L241 PolarHBondContact O-N 3.35Å
240L90.4Very high90.8Very high79 Ų7980.3 Ų80.341%0.41446%0.457SS..THydrogen-bonded Turntrans-78.1-6.5-174.1-64.9173.5000113.9I235 V238 G242 E243 V244I235-L240 HydrophobicContact CG2-CB 4.27Å; I235-L240 PolarHBondContact O-N 2.91Å; V238-L240 VanDerWaalsContact C-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.88Å; V238-L240 HydrophobicContact CG1-CG 4.09Å; V238-L240 PolarHBondContact O-N 3.4Å; L240-G242 VanDerWaalsContact C-N 3.25Å; L240-G242 PolarHBondContact O-N 3.18Å; L240-E243 PolarHBondContact O-N 3.16Å; L240-E243 VanDerWaalsContact O-N 3.12Å; L240-V244 WeakPolarHBondContact O-CG2 3.31Å; L240-V244 PolarHBondContact O-N 3.2Å
241L90.4Very high91Very high66 Ų6681.3 Ų81.335%0.34646%0.459SS..Hα-helixtrans-55.8-38-177.4-172.767.8000113.1W232 I235 A236 G239 V245W232-L241 HydrophobicContact CE3-CD1 3.67Å; W232-L241 HydrophobicContact CZ3-CD1 3.92Å; I235-L241 HydrophobicContact CG2-CB 4.11Å; I235-L241 HydrophobicContact CG2-CD1 4.14Å; I235-L241 PolarHBondContact O-N 3.14Å; A236-L241 HydrophobicContact CB-CB 4.37Å; A236-L241 HydrophobicContact CB-CD2 4.11Å; G239-L241 VanDerWaalsContact C-N 3.27Å; G239-L241 PolarHBondContact O-N 3.35Å; L241-V245 HydrophobicContact CD1-CG2 4.06Å; L241-V245 HydrophobicContact CG-CG2 4.25Å; L241-V245 VanDerWaalsContact O-CB 3.29Å; L241-V245 WeakPolarHBondContact O-CB 3.38Å; L241-V245 WeakPolarHBondContact O-CG2 3.37Å; L241-V245 PolarHBondContact O-N 3.33Å
242G87.7Confident91.1Very high47 Ų4780.6 Ų80.649%0.48546%0.46SS..Hα-helixtrans-64.4-43.4177.500000112.8L240 T246L240-G242 VanDerWaalsContact C-N 3.25Å; L240-G242 PolarHBondContact O-N 3.18Å; G242-T246 VanDerWaalsContact O-CB 3.28Å; G242-T246 WeakPolarHBondContact O-CB 3.4Å; G242-T246 PolarHBondContact O-N 2.9Å; G242-T246 PolarHBondContact O-OG1 2.94Å
243E91.6Very high91.2Very high139 Ų13980.5 Ų80.565%0.6547%0.466SS*.Hα-helixtrans-67.7-47177.5-174.2179.9177.900110.9L240 V245 T246 N247L240-E243 PolarHBondContact O-N 3.16Å; L240-E243 VanDerWaalsContact O-N 3.12Å; E243-V245 PolarHBondContact O-N 3.36Å; E243-T246 PolarHBondContact O-N 2.77Å; E243-N247 WeakPolarHBondContact O-CB 3.2Å; E243-N247 PolarHBondContact O-N 3.12Å
244V93.9Very high91.3Very high45 Ų4580.6 Ų80.627%0.27347%0.468SS..Hα-helixtrans-61.5-45178.81740000111.5W232 I235 L240 N247 I248W232-V244 HydrophobicContact CH2-CG1 4.06Å; W232-V244 HydrophobicContact CZ3-CG1 3.8Å; I235-V244 HydrophobicContact CG2-CB 4.4Å; I235-V244 HydrophobicContact CG2-CG2 4.09Å; L240-V244 WeakPolarHBondContact O-CG2 3.31Å; L240-V244 PolarHBondContact O-N 3.2Å; V244-N247 PolarHBondContact O-N 3.35Å; V244-I248 HydrophobicContact CG1-CD1 3.74Å; V244-I248 WeakPolarHBondContact O-CB 3.27Å; V244-I248 WeakPolarHBondContact O-CD1 3.43Å; V244-I248 VanDerWaalsContact O-CG1 3.23Å; V244-I248 WeakPolarHBondContact O-CG1 3.31Å; V244-I248 PolarHBondContact O-N 2.89Å
245V93.1Very high91.3Very high75 Ų7585.2 Ų85.246%0.45548%0.483SS..Hα-helixtrans-66.8-40.2177.5170.50000111.4L241 E243 I248 N249L241-V245 HydrophobicContact CD1-CG2 4.06Å; L241-V245 HydrophobicContact CG-CG2 4.25Å; L241-V245 VanDerWaalsContact O-CB 3.29Å; L241-V245 WeakPolarHBondContact O-CB 3.38Å; L241-V245 WeakPolarHBondContact O-CG2 3.37Å; L241-V245 PolarHBondContact O-N 3.33Å; E243-V245 PolarHBondContact O-N 3.36Å; V245-I248 PolarHBondContact O-N 2.95Å; V245-N249 VanDerWaalsContact O-CB 3.27Å; V245-N249 WeakPolarHBondContact O-CB 3.44Å; V245-N249 PolarHBondContact O-N 3.42Å
246T91.5Very high91.3Very high89 Ų8988.5 Ų88.555%0.54650%0.5SS..Hα-helixtrans-66.4-39.7177.3-570000111.5G242 E243 N249 T250G242-T246 VanDerWaalsContact O-CB 3.28Å; G242-T246 WeakPolarHBondContact O-CB 3.4Å; G242-T246 PolarHBondContact O-N 2.9Å; G242-T246 PolarHBondContact O-OG1 2.94Å; E243-T246 PolarHBondContact O-N 2.77Å; T246-N249 PolarHBondContact O-N 3.02Å; T246-T250 WeakPolarHBondContact O-CB 3.33Å; T246-T250 PolarHBondContact O-N 2.89Å; T246-T250 PolarHBondContact O-OG1 2.81Å
247N93.1Very high91.2Very high93 Ų9390.9 Ų90.950%0.49751%0.507SS..Hα-helixtrans-67.1-45.6176.1-170.368.1000111.7E243 V244 N249 T250 E251E243-N247 WeakPolarHBondContact O-CB 3.2Å; E243-N247 PolarHBondContact O-N 3.12Å; V244-N247 PolarHBondContact O-N 3.35Å; N247-N249 VanDerWaalsContact C-N 3.31Å; N247-N249 PolarHBondContact O-N 3.32Å; N247-T250 PolarHBondContact O-N 2.9Å; N247-E251 WeakPolarHBondContact O-CB 3.42Å; N247-E251 WeakPolarHBondContact O-CG 3.5Å; N247-E251 PolarHBondContact O-N 3.01Å
248I94.3Very high91.1Very high83 Ų8386.4 Ų86.443%0.42649%0.488SS..Hα-helixtrans-59.6-41.9174.4-71.1167.1000111.2W232 V244 V245 L252W232-I248 HydrophobicContact CH2-CD1 3.91Å; V244-I248 HydrophobicContact CG1-CD1 3.74Å; V244-I248 WeakPolarHBondContact O-CB 3.27Å; V244-I248 WeakPolarHBondContact O-CD1 3.43Å; V244-I248 VanDerWaalsContact O-CG1 3.23Å; V244-I248 WeakPolarHBondContact O-CG1 3.31Å; V244-I248 PolarHBondContact O-N 2.89Å; V245-I248 PolarHBondContact O-N 2.95Å; I248-L252 WeakPolarHBondContact O-CB 3.23Å; I248-L252 PolarHBondContact O-N 2.85Å
249N91.3Very high90.7Very high95 Ų9584.8 Ų84.851%0.50848%0.478SS..Hα-helixtrans-63.2-44176.7-170-84.3000111.4V245 T246 N247 L252 I253V245-N249 VanDerWaalsContact O-CB 3.27Å; V245-N249 WeakPolarHBondContact O-CB 3.44Å; V245-N249 PolarHBondContact O-N 3.42Å; T246-N249 PolarHBondContact O-N 3.02Å; N247-N249 VanDerWaalsContact C-N 3.31Å; N247-N249 PolarHBondContact O-N 3.32Å; N249-L252 PolarHBondContact O-N 3.17Å; N249-I253 WeakPolarHBondContact O-CG1 2.86Å; N249-I253 PolarHBondContact O-N 3.14Å; N249-I253 VanDerWaalsContact OD1-CD1 3.26Å; N249-I253 WeakPolarHBondContact OD1-CD1 2.73Å
250T93.5Very high90.1Very high58 Ų5886.1 Ų86.136%0.35647%0.47SS..Hα-helixtrans-64.8-47.7179.3-58.90000112T246 N247 L252 I253 Q254T246-T250 WeakPolarHBondContact O-CB 3.33Å; T246-T250 PolarHBondContact O-N 2.89Å; T246-T250 PolarHBondContact O-OG1 2.81Å; N247-T250 PolarHBondContact O-N 2.9Å; T250-L252 VanDerWaalsContact C-N 3.33Å; T250-L252 PolarHBondContact O-N 3.25Å; T250-I253 PolarHBondContact O-N 2.87Å; T250-Q254 WeakPolarHBondContact O-CG 3.24Å; T250-Q254 PolarHBondContact O-N 2.94Å
251E93.4Very high89.4Confident104 Ų10488.1 Ų88.149%0.48648%0.478SS..Hα-helixtrans-59.1-41.9173.7-76.4-79.617800111.8N247 Q254 M255N247-E251 WeakPolarHBondContact O-CB 3.42Å; N247-E251 WeakPolarHBondContact O-CG 3.5Å; N247-E251 PolarHBondContact O-N 3.01Å; E251-Q254 PolarHBondContact O-N 2.92Å; E251-M255 VanDerWaalsContact O-CB 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.47Å; E251-M255 PolarHBondContact O-N 2.81Å
252L92.8Very high88.3Confident109 Ų10991.5 Ų91.557%0.57149%0.486SS*.Hα-helixtrans-68.5-37.4178.6-165.2155.4000111.6I248 N249 T250 L256I248-L252 WeakPolarHBondContact O-CB 3.23Å; I248-L252 PolarHBondContact O-N 2.85Å; N249-L252 PolarHBondContact O-N 3.17Å; T250-L252 VanDerWaalsContact C-N 3.33Å; T250-L252 PolarHBondContact O-N 3.25Å; L252-L256 WeakPolarHBondContact O-CB 3.29Å; L252-L256 PolarHBondContact O-N 3.39Å
253I93.9Very high86.6Confident98 Ų9899 Ų9950%0.50350%0.499SS..Hα-helixtrans-65.1-48171.9-72170.4000110.8N249 T250 M255 L256 D257N249-I253 WeakPolarHBondContact O-CG1 2.86Å; N249-I253 PolarHBondContact O-N 3.14Å; N249-I253 VanDerWaalsContact OD1-CD1 3.26Å; N249-I253 WeakPolarHBondContact OD1-CD1 2.73Å; T250-I253 PolarHBondContact O-N 2.87Å; I253-M255 VanDerWaalsContact C-N 3.29Å; I253-M255 PolarHBondContact O-N 2.85Å; I253-L256 PolarHBondContact O-N 3.19Å; I253-D257 WeakPolarHBondContact O-CB 3.37Å; I253-D257 PolarHBondContact O-N 2.88Å
254Q91.4Very high84.6Confident121 Ų12199.7 Ų99.757%0.56550%0.503SS*.Hα-helixtrans-62.2-36177.2-71.7-178.131.400112.2T250 E251 G258T250-Q254 WeakPolarHBondContact O-CG 3.24Å; T250-Q254 PolarHBondContact O-N 2.94Å; E251-Q254 PolarHBondContact O-N 2.92Å; Q254-G258 PolarHBondContact O-N 2.88Å
255M90.1Very high82.5Confident129 Ų129105.1 Ų105.164%0.63553%0.525SS*.Hα-helixtrans-68.6-40.5175-168.6-175.7-54.100112E251 I253 V259E251-M255 VanDerWaalsContact O-CB 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.47Å; E251-M255 PolarHBondContact O-N 2.81Å; I253-M255 VanDerWaalsContact C-N 3.29Å; I253-M255 PolarHBondContact O-N 2.85Å; M255-V259 VanDerWaalsContact O-CG2 3.32Å; M255-V259 WeakPolarHBondContact O-CG2 3.39Å; M255-V259 PolarHBondContact O-N 3.36Å
256L88.9Confident80.4Confident98 Ų98109 Ų10951%0.51354%0.544SS..Hα-helixtrans-66.2-43.9175.4179.962.2000111.4L252 I253 V259 L260L252-L256 WeakPolarHBondContact O-CB 3.29Å; L252-L256 PolarHBondContact O-N 3.39Å; I253-L256 PolarHBondContact O-N 3.19Å; L256-V259 WeakPolarHBondContact O-CB 3.48Å; L256-V259 PolarHBondContact O-N 3.25Å; L256-V259 VanDerWaalsContact O-N 3.15Å; L256-L260 HydrophobicContact CG-CD1 4.27Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.1Å
257D87Confident78.5Confident95 Ų95109.1 Ų109.151%0.50855%0.554SS.*Hα-helixtrans-62.2-46175.2-170.658.9000111.1I253 V259 L260 Q261I253-D257 WeakPolarHBondContact O-CB 3.37Å; I253-D257 PolarHBondContact O-N 2.88Å; D257-V259 PolarHBondContact O-N 3.15Å; D257-L260 CarbonylContact O-C 3.48Å; D257-L260 WeakPolarHBondContact O-CA 3.32Å; D257-L260 PolarHBondContact O-N 3.24Å; D257-Q261 WeakPolarHBondContact O-CB 3.28Å; D257-Q261 PolarHBondContact O-N 3.11Å
258G85.9Confident76.7Confident23 Ų23110.1 Ų110.124%0.23756%0.558CS.*Hα-helixtrans-62-24172.800000114.6Q254 R262Q254-G258 PolarHBondContact O-N 2.88Å; G258-R262 WeakPolarHBondContact O-CG 3.37Å; G258-R262 PolarHBondContact O-N 2.94Å; G258-R262 PolarHBondContact O-NH1 3.43Å; G258-R262 VanDerWaalsContact O-NH1 3.07Å
259V81.7Confident75.4Confident73 Ų73112.5 Ų112.544%0.44257%0.568SS.*Hα-helixtrans-80.1-38.7170166.80000111.3M255 L256 D257 R262 R263M255-V259 VanDerWaalsContact O-CG2 3.32Å; M255-V259 WeakPolarHBondContact O-CG2 3.39Å; M255-V259 PolarHBondContact O-N 3.36Å; L256-V259 WeakPolarHBondContact O-CB 3.48Å; L256-V259 PolarHBondContact O-N 3.25Å; L256-V259 VanDerWaalsContact O-N 3.15Å; D257-V259 PolarHBondContact O-N 3.15Å; V259-R262 PolarHBondContact O-N 3.2Å; V259-R263 PolarHBondContact O-N 3.07Å
260L76.5Confident74.2Confident89 Ų89115 Ų11547%0.46658%0.581SS.*Hα-helixtrans-67.1-39.1175.2-71.1169.9000111.9L256 D257 R262 R263L256-L260 HydrophobicContact CG-CD1 4.27Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.1Å; D257-L260 CarbonylContact O-C 3.48Å; D257-L260 WeakPolarHBondContact O-CA 3.32Å; D257-L260 PolarHBondContact O-N 3.24Å; L260-R262 VanDerWaalsContact C-N 3.34Å; L260-R262 PolarHBondContact O-N 3.13Å; L260-R263 WeakPolarHBondContact O-CB 3.43Å; L260-R263 PolarHBondContact O-N 3.25Å; L260-R263 VanDerWaalsContact O-N 3.09Å
261Q74.6Confident73Confident122 Ų122116.5 Ų116.557%0.5759%0.59SS**Hα-helixtrans-66.5-35.3174.9-165.370.677.900111.8D257 R263D257-Q261 WeakPolarHBondContact O-CB 3.28Å; D257-Q261 PolarHBondContact O-N 3.11Å; Q261-R263 PolarHBondContact O-N 3.21Å
262R67.5Low72.2Confident136 Ų136114.9 Ų114.951%0.51358%0.583SS.*Hα-helixtrans-68.1-15.2172.2-77.3-165.6-59.4-87.28.9113.6G258 V259 L260 E264 Q265G258-R262 WeakPolarHBondContact O-CG 3.37Å; G258-R262 PolarHBondContact O-N 2.94Å; G258-R262 PolarHBondContact O-NH1 3.43Å; G258-R262 VanDerWaalsContact O-NH1 3.07Å; V259-R262 PolarHBondContact O-N 3.2Å; L260-R262 VanDerWaalsContact C-N 3.34Å; L260-R262 PolarHBondContact O-N 3.13Å; R262-E264 PolarHBondContact O-N 3.02Å; R262-Q265 PolarHBondContact O-N 3.25Å
263R51.9Low71.5Confident204 Ų204113.2 Ų113.277%0.7758%0.577SS**THydrogen-bonded Turntrans-63.8-23.6-179.9-168.5-179.3168.8-161.1-6.7113.9V259 L260 Q261 Q265V259-R263 PolarHBondContact O-N 3.07Å; L260-R263 WeakPolarHBondContact O-CB 3.43Å; L260-R263 PolarHBondContact O-N 3.25Å; L260-R263 VanDerWaalsContact O-N 3.09Å; Q261-R263 PolarHBondContact O-N 3.21Å; R263-Q265 VanDerWaalsContact C-N 3.26Å
264E51.1Low70.8Confident155 Ų155110.8 Ų110.872%0.72457%0.571SS**THydrogen-bonded Turntrans-76.7-13.1174-65.5-167.7120.300113.1R262R262-E264 PolarHBondContact O-N 3.02Å
265Q48.9Very low70.3Confident159 Ų159109.6 Ų109.674%0.74357%0.572SS**SBendtrans-97.7112.3174-63.3-172.7-1.700109R262 R263R262-Q265 PolarHBondContact O-N 3.25Å; R263-Q265 VanDerWaalsContact C-N 3.26Å
266N48.2Very low69.9Low157 Ų157108.1 Ų108.184%0.8457%0.566SS**SBendtrans-64.1150.2-164-74.1-76.3000114.7
267A51.6Low69.6Low91 Ų91105.9 Ų105.975%0.75256%0.559SS**  trans66.499176.900000115.6Q269A267-Q269 PolarHBondContact O-N 2.76Å
268L55.9Low69.3Low114 Ų114106 Ų10660%0.59756%0.56SS**  trans-50134.5158.3-74.4165.3000109.6E272 V273L268-E272 WeakPolarHBondContact CA-OE2 3.22Å; L268-E272 HydrophobicContact CD2-CB 4.26Å; L268-V273 HydrophobicContact CB-CG2 4.13Å
269Q66.4Low69.2Low133 Ų133109.4 Ų109.462%0.62157%0.572SS**  trans-75.1150.6178.2-58.9-173.212.800110.5A267 T271 E272 V273A267-Q269 PolarHBondContact O-N 2.76Å; Q269-T271 WeakPolarHBondContact CB-OG1 3.42Å; Q269-T271 PolarHBondContact O-N 2.7Å; Q269-E272 HydrophobicContact CB-CG 4.35Å; Q269-E272 PolarHBondContact N-OE2 3.34Å; Q269-E272 WeakPolarHBondContact O-CA 3.41Å; Q269-E272 WeakPolarHBondContact O-CB 3.42Å; Q269-E272 PolarHBondContact O-N 3.01Å; Q269-V273 PolarHBondContact O-N 3.44Å
270D66.3Low69.1Low146 Ų146106.5 Ų106.578%0.78156%0.555SS**Hα-helixtrans-55.2-29.2179.7-62.4-54.9000112.7A274D270-A274 VanDerWaalsContact O-CB 3.31Å; D270-A274 WeakPolarHBondContact O-CB 3.22Å; D270-A274 PolarHBondContact O-N 3.46Å
271T68.4Low69.1Low91 Ų91108.2 Ų108.256%0.55856%0.561SS**Hα-helixtrans-64.6-42.517243.60000113.2Q269 A274 V275Q269-T271 WeakPolarHBondContact CB-OG1 3.42Å; Q269-T271 PolarHBondContact O-N 2.7Å; T271-A274 PolarHBondContact O-N 3.3Å; T271-V275 WeakPolarHBondContact O-CG2 3.41Å; T271-V275 PolarHBondContact O-N 3.33Å
272E76.3Confident69.1Low70 Ų70108 Ų10833%0.32757%0.568SS.*Hα-helixtrans-69.4-39.9177-60.8176.9121.400110.6L268 Q269 V275 L276L268-E272 WeakPolarHBondContact CA-OE2 3.22Å; L268-E272 HydrophobicContact CD2-CB 4.26Å; Q269-E272 HydrophobicContact CB-CG 4.35Å; Q269-E272 PolarHBondContact N-OE2 3.34Å; Q269-E272 WeakPolarHBondContact O-CA 3.41Å; Q269-E272 WeakPolarHBondContact O-CB 3.42Å; Q269-E272 PolarHBondContact O-N 3.01Å; E272-V275 PolarHBondContact O-N 3.04Å; E272-L276 WeakPolarHBondContact O-CB 3.5Å; E272-L276 VanDerWaalsContact O-CG 3.31Å; E272-L276 WeakPolarHBondContact O-CG 3.4Å; E272-L276 PolarHBondContact O-N 3.21Å
273V78.9Confident69.7Low73 Ų73108 Ų10844%0.44257%0.572SS.*Hα-helixtrans-61.9-43.6173.3-179.60000111L268 Q269 L276 S277L268-V273 HydrophobicContact CB-CG2 4.13Å; Q269-V273 PolarHBondContact O-N 3.44Å; V273-L276 PolarHBondContact O-N 3.31Å; V273-S277 WeakPolarHBondContact O-CB 3.38Å; V273-S277 PolarHBondContact O-N 3.01Å
274A78.4Confident71.1Confident47 Ų47101 Ų10139%0.38856%0.564SS.*Hα-helixtrans-64.6-42.6176.100000112.6D270 T271 S277 N278D270-A274 VanDerWaalsContact O-CB 3.31Å; D270-A274 WeakPolarHBondContact O-CB 3.22Å; D270-A274 PolarHBondContact O-N 3.46Å; T271-A274 PolarHBondContact O-N 3.3Å; A274-S277 PolarHBondContact O-N 2.99Å; A274-N278 WeakPolarHBondContact O-CB 3.33Å; A274-N278 VanDerWaalsContact O-CG 3.27Å; A274-N278 PolarHBondContact O-N 3.05Å; A274-N278 PolarHBondContact O-ND2 3.07Å
275V82.1Confident72.7Confident96 Ų9697.8 Ų97.858%0.58255%0.551SS**Hα-helixtrans-62.4-45.2175.4168.30000111.1T271 E272 S277 N278 L279T271-V275 WeakPolarHBondContact O-CG2 3.41Å; T271-V275 PolarHBondContact O-N 3.33Å; E272-V275 PolarHBondContact O-N 3.04Å; V275-S277 PolarHBondContact O-N 2.85Å; V275-N278 PolarHBondContact O-N 2.84Å; V275-L279 WeakPolarHBondContact O-CB 3.45Å; V275-L279 PolarHBondContact O-N 3.25Å
276L81.1Confident74.2Confident98 Ų9893 Ų9351%0.51353%0.53SS..Hα-helixtrans-64.5-38.6177-72.6167.7000112.3E272 V273 A280E272-L276 WeakPolarHBondContact O-CB 3.5Å; E272-L276 VanDerWaalsContact O-CG 3.31Å; E272-L276 WeakPolarHBondContact O-CG 3.4Å; E272-L276 PolarHBondContact O-N 3.21Å; V273-L276 PolarHBondContact O-N 3.31Å; L276-A280 VanDerWaalsContact O-CB 3.27Å; L276-A280 WeakPolarHBondContact O-CB 3.4Å; L276-A280 PolarHBondContact O-N 2.77Å
277S82.2Confident75.6Confident52 Ų5291.1 Ų91.136%0.36452%0.52SS..Hα-helixtrans-63.5-46.4174.4-172.10000111.7V273 A274 V275 A280 Q281V273-S277 WeakPolarHBondContact O-CB 3.38Å; V273-S277 PolarHBondContact O-N 3.01Å; A274-S277 PolarHBondContact O-N 2.99Å; V275-S277 PolarHBondContact O-N 2.85Å; S277-A280 PolarHBondContact O-N 2.9Å; S277-Q281 WeakPolarHBondContact O-CB 3.17Å; S277-Q281 PolarHBondContact O-N 3.42Å
278N82.1Confident77.1Confident97 Ų9789.9 Ų89.952%0.51951%0.506SS..Hα-helixtrans-64.4-42.1177.9-72.4-24.3000111.7A274 V275 Q281 V282A274-N278 WeakPolarHBondContact O-CB 3.33Å; A274-N278 VanDerWaalsContact O-CG 3.27Å; A274-N278 PolarHBondContact O-N 3.05Å; A274-N278 PolarHBondContact O-ND2 3.07Å; V275-N278 PolarHBondContact O-N 2.84Å; N278-Q281 PolarHBondContact O-N 3.23Å; N278-V282 WeakPolarHBondContact O-CG2 3.49Å; N278-V282 PolarHBondContact O-N 2.91Å
279L83.1Confident78.4Confident94 Ų9487.4 Ų87.449%0.49250%0.495SS..Hα-helixtrans-63.5-45.3176.7-164.670.3000111.2V275 Q281 V282 F283V275-L279 WeakPolarHBondContact O-CB 3.45Å; V275-L279 PolarHBondContact O-N 3.25Å; L279-Q281 PolarHBondContact O-N 2.95Å; L279-V282 PolarHBondContact O-N 3.05Å; L279-F283 HydrophobicContact CD1-CD2 4.23Å; L279-F283 HydrophobicContact CD1-CE2 3.71Å; L279-F283 HydrophobicContact CG-CD2 4.13Å; L279-F283 HydrophobicContact CG-CE2 4.04Å; L279-F283 VanDerWaalsContact O-CD2 3.28Å; L279-F283 WeakPolarHBondContact O-CD2 3.27Å; L279-F283 PolarHBondContact O-N 3.19Å; L279-F283 VanDerWaalsContact O-N 3.14Å
280A78.9Confident79.2Confident12 Ų1287.8 Ų87.810%0.09950%0.495CS..Hα-helixtrans-63.7-29.5174.300000112.5L276 S277 G284 L285 L286 V289L276-A280 VanDerWaalsContact O-CB 3.27Å; L276-A280 WeakPolarHBondContact O-CB 3.4Å; L276-A280 PolarHBondContact O-N 2.77Å; S277-A280 PolarHBondContact O-N 2.9Å; A280-G284 CarbonylContact O-C 3.55Å; A280-G284 PolarHBondContact O-N 2.81Å; A280-L285 HydrophobicContact CB-CB 4.42Å; A280-L285 PolarHBondContact O-N 3.43Å; A280-L286 HydrophobicContact CB-CD2 3.82Å; A280-L286 HydrophobicContact CB-CG 4.13Å; A280-L286 PolarHBondContact O-N 3.45Å; A280-V289 HydrophobicContact CB-CG2 4.3Å
281Q77.9Confident80.1Confident126 Ų12688.6 Ų88.659%0.58949%0.491SS*.Hα-helixtrans-74.5-43.2175.4-166.5162.6-4.300112.1S277 N278 L279 F283 G284 L286S277-Q281 WeakPolarHBondContact O-CB 3.17Å; S277-Q281 PolarHBondContact O-N 3.42Å; N278-Q281 PolarHBondContact O-N 3.23Å; L279-Q281 PolarHBondContact O-N 2.95Å; Q281-F283 VanDerWaalsContact C-N 3.28Å; Q281-F283 PolarHBondContact O-N 2.95Å; Q281-G284 PolarHBondContact O-N 2.83Å; Q281-G284 VanDerWaalsContact O-N 3.12Å; Q281-L286 HydrophobicContact CB-CD1 3.7Å; Q281-L286 HydrophobicContact CB-CG 4.18Å; Q281-L286 HydrophobicContact CG-CD1 3.8Å
282V74.4Confident80.9Confident118 Ų11888.9 Ų88.972%0.71549%0.489SS*.Hα-helixtrans-59.5-37.4176.2167.50000111.9N278 L279N278-V282 WeakPolarHBondContact O-CG2 3.49Å; N278-V282 PolarHBondContact O-N 2.91Å; L279-V282 PolarHBondContact O-N 3.05Å
283F79.4Confident81.3Confident135 Ų13589.9 Ų89.959%0.59250%0.496SS*.THydrogen-bonded Turntrans-92.14.6176.9-66.7-64.3000114.7L279 Q281 L285L279-F283 HydrophobicContact CD1-CD2 4.23Å; L279-F283 HydrophobicContact CD1-CE2 3.71Å; L279-F283 HydrophobicContact CG-CD2 4.13Å; L279-F283 HydrophobicContact CG-CE2 4.04Å; L279-F283 VanDerWaalsContact O-CD2 3.28Å; L279-F283 WeakPolarHBondContact O-CD2 3.27Å; L279-F283 PolarHBondContact O-N 3.19Å; L279-F283 VanDerWaalsContact O-N 3.14Å; Q281-F283 VanDerWaalsContact C-N 3.28Å; Q281-F283 PolarHBondContact O-N 2.95Å; F283-L285 HydrophobicContact CB-CD1 3.84Å; F283-L285 HydrophobicContact CB-CG 3.81Å; F283-L285 PolarHBondContact O-N 2.84Å; F283-L285 VanDerWaalsContact O-N 3.16Å
284G82.4Confident81.6Confident58 Ų5890.4 Ų90.460%0.59849%0.493SS*.THydrogen-bonded Turntrans64.814-177.600000114.9A280 Q281 L286A280-G284 CarbonylContact O-C 3.55Å; A280-G284 PolarHBondContact O-N 2.81Å; Q281-G284 PolarHBondContact O-N 2.83Å; Q281-G284 VanDerWaalsContact O-N 3.12Å; G284-L286 VanDerWaalsContact C-N 3.35Å
285L83.9Confident81.8Confident86 Ų8695.4 Ų95.445%0.4551%0.506SS..  trans-82.6-5.8-175.7-62.5176.9000113.8A280 F283 D287 S288 V289A280-L285 HydrophobicContact CB-CB 4.42Å; A280-L285 PolarHBondContact O-N 3.43Å; F283-L285 HydrophobicContact CB-CD1 3.84Å; F283-L285 HydrophobicContact CB-CG 3.81Å; F283-L285 PolarHBondContact O-N 2.84Å; F283-L285 VanDerWaalsContact O-N 3.16Å; L285-D287 VanDerWaalsContact C-N 3.32Å; L285-D287 PolarHBondContact O-N 2.94Å; L285-S288 WeakPolarHBondContact O-CA 3.49Å; L285-S288 WeakPolarHBondContact O-CB 3.35Å; L285-S288 PolarHBondContact O-N 2.82Å; L285-V289 HydrophobicContact CB-CG2 4.43Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 3.48Å
286L79.6Confident81.8Confident60 Ų6097.7 Ų97.731%0.31450%0.504SS..Hα-helixtrans-51.1-45.2-177.1-82.1177.2000113.5A280 Q281 G284 V289 K290A280-L286 HydrophobicContact CB-CD2 3.82Å; A280-L286 HydrophobicContact CB-CG 4.13Å; A280-L286 PolarHBondContact O-N 3.45Å; Q281-L286 HydrophobicContact CB-CD1 3.7Å; Q281-L286 HydrophobicContact CB-CG 4.18Å; Q281-L286 HydrophobicContact CG-CD1 3.8Å; G284-L286 VanDerWaalsContact C-N 3.35Å; L286-V289 PolarHBondContact O-N 3.34Å; L286-K290 WeakPolarHBondContact O-CB 3.33Å; L286-K290 PolarHBondContact O-N 3.25Å
287D78.9Confident81.8Confident116 Ų11698 Ų9862%0.6250%0.502SS*.Hα-helixtrans-70.4-32.3179.2-74.6-60.9000112.9L285 K291L285-D287 VanDerWaalsContact C-N 3.32Å; L285-D287 PolarHBondContact O-N 2.94Å; D287-K291 WeakPolarHBondContact O-CB 3.46Å; D287-K291 PolarHBondContact O-N 3.31Å
288S81.7Confident81.6Confident66 Ų66101.4 Ų101.446%0.46251%0.512SS..Hα-helixtrans-67.8-45.9172-66.70000111.6L285 K291 I292L285-S288 WeakPolarHBondContact O-CA 3.49Å; L285-S288 WeakPolarHBondContact O-CB 3.35Å; L285-S288 PolarHBondContact O-N 2.82Å; S288-K291 PolarHBondContact O-N 3.47Å; S288-I292 WeakPolarHBondContact O-CB 3.44Å; S288-I292 WeakPolarHBondContact O-CD1 3.26Å; S288-I292 VanDerWaalsContact O-CG1 3.25Å; S288-I292 WeakPolarHBondContact O-CG1 3.31Å; S288-I292 PolarHBondContact O-N 3.33Å
289V84Confident81.5Confident62 Ų62103.5 Ų103.538%0.37652%0.519SS..Hα-helixtrans-61.4-46.5175.51720000110.3A280 L285 L286 K291 I292 L293A280-V289 HydrophobicContact CB-CG2 4.3Å; L285-V289 HydrophobicContact CB-CG2 4.43Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 3.48Å; L286-V289 PolarHBondContact O-N 3.34Å; V289-K291 PolarHBondContact O-N 3.38Å; V289-I292 PolarHBondContact O-N 3.18Å; V289-L293 HydrophobicContact CG1-CD1 3.82Å; V289-L293 HydrophobicContact CG1-CG 4.28Å; V289-L293 WeakPolarHBondContact O-CB 3.27Å; V289-L293 VanDerWaalsContact O-CG 3.3Å; V289-L293 WeakPolarHBondContact O-CG 3.34Å; V289-L293 PolarHBondContact O-N 2.88Å
290K83.8Confident81.3Confident140 Ų140102 Ų10261%0.60951%0.514SS*.Hα-helixtrans-59.1-45.3175179.2-179.3173.1-1710112L286 I292 L293 E294L286-K290 WeakPolarHBondContact O-CB 3.33Å; L286-K290 PolarHBondContact O-N 3.25Å; K290-I292 PolarHBondContact O-N 2.78Å; K290-L293 PolarHBondContact O-N 3.15Å; K290-E294 VanDerWaalsContact O-CB 3.24Å; K290-E294 WeakPolarHBondContact O-CB 3.28Å; K290-E294 PolarHBondContact O-N 3.25Å
291K85.4Confident81.4Confident163 Ų163104.5 Ų104.571%0.70953%0.525SS*.Hα-helixtrans-64.3-37.3176.7-172.8176.6-176.9178.50112.5D287 S288 V289 K295D287-K291 WeakPolarHBondContact O-CB 3.46Å; D287-K291 PolarHBondContact O-N 3.31Å; S288-K291 PolarHBondContact O-N 3.47Å; V289-K291 PolarHBondContact O-N 3.38Å; K291-K295 WeakPolarHBondContact O-CB 3.44Å; K291-K295 PolarHBondContact O-N 3.06Å
292I85.6Confident81.4Confident98 Ų98101.1 Ų101.150%0.50351%0.514SS..Hα-helixtrans-71.8-41.8176-69.4164.6000111.2S288 V289 K290 R296S288-I292 WeakPolarHBondContact O-CB 3.44Å; S288-I292 WeakPolarHBondContact O-CD1 3.26Å; S288-I292 VanDerWaalsContact O-CG1 3.25Å; S288-I292 WeakPolarHBondContact O-CG1 3.31Å; S288-I292 PolarHBondContact O-N 3.33Å; V289-I292 PolarHBondContact O-N 3.18Å; K290-I292 PolarHBondContact O-N 2.78Å; I292-R296 WeakPolarHBondContact O-CB 3.42Å; I292-R296 PolarHBondContact O-N 3.13Å
293L84.7Confident81.5Confident91 Ų9197.9 Ų97.948%0.47650%0.497SS..Hα-helixtrans-65.5-43.5175.8-74174.1000111.6V289 K290 R296 K297V289-L293 HydrophobicContact CG1-CD1 3.82Å; V289-L293 HydrophobicContact CG1-CG 4.28Å; V289-L293 WeakPolarHBondContact O-CB 3.27Å; V289-L293 VanDerWaalsContact O-CG 3.3Å; V289-L293 WeakPolarHBondContact O-CG 3.34Å; V289-L293 PolarHBondContact O-N 2.88Å; K290-L293 PolarHBondContact O-N 3.15Å; L293-R296 PolarHBondContact O-N 3.3Å; L293-K297 VanDerWaalsContact O-CB 3.27Å; L293-K297 WeakPolarHBondContact O-CB 3.37Å; L293-K297 PolarHBondContact O-N 3.42Å
294E83.6Confident81.6Confident83 Ų8396.5 Ų96.539%0.38849%0.492SS..Hα-helixtrans-65.3-42.4176.8-173.257.7-143.900111.1K290 R296 K297 Q298K290-E294 VanDerWaalsContact O-CB 3.24Å; K290-E294 WeakPolarHBondContact O-CB 3.28Å; K290-E294 PolarHBondContact O-N 3.25Å; E294-R296 PolarHBondContact O-N 2.9Å; E294-K297 PolarHBondContact O-N 3.2Å; E294-Q298 WeakPolarHBondContact O-CB 3.39Å; E294-Q298 VanDerWaalsContact O-CG 3.27Å; E294-Q298 WeakPolarHBondContact O-CG 3.5Å; E294-Q298 PolarHBondContact O-N 3.17Å; E294-Q298 PolarHBondContact OE1-NE2 3.13Å
295K83.9Confident81.7Confident152 Ų152100.2 Ų100.266%0.66149%0.494SS*.Hα-helixtrans-61.8-42.7172.2-176.7177.4178.3-1790112.3K291 Q298 Q299K291-K295 WeakPolarHBondContact O-CB 3.44Å; K291-K295 PolarHBondContact O-N 3.06Å; K295-Q298 PolarHBondContact O-N 3.48Å; K295-Q299 PolarHBondContact O-N 3.32Å; K295-Q299 VanDerWaalsContact O-N 3.13Å
296R81.6Confident81.8Confident144 Ų144102.3 Ų102.354%0.54350%0.501SS..Hα-helixtrans-64.9-44.2177.1-175.6-177.9-67.1143.7-1110.8I292 L293 E294 Q299 T300I292-R296 WeakPolarHBondContact O-CB 3.42Å; I292-R296 PolarHBondContact O-N 3.13Å; L293-R296 PolarHBondContact O-N 3.3Å; E294-R296 PolarHBondContact O-N 2.9Å; R296-Q299 CarbonylContact O-C 3.55Å; R296-Q299 WeakPolarHBondContact O-CB 3.46Å; R296-Q299 PolarHBondContact O-N 3.48Å; R296-Q299 VanDerWaalsContact O-N 3.1Å; R296-T300 WeakPolarHBondContact O-CB 3.37Å; R296-T300 PolarHBondContact O-N 3.4Å; R296-T300 PolarHBondContact O-OG1 3.19Å
297K81.8Confident82.2Confident106 Ų106104.4 Ų104.446%0.46151%0.512SS..Hα-helixtrans-57.2-50.9174.4179.7-170.8167.2-162.30110.9L293 E294 Q299 T300 D301L293-K297 VanDerWaalsContact O-CB 3.27Å; L293-K297 WeakPolarHBondContact O-CB 3.37Å; L293-K297 PolarHBondContact O-N 3.42Å; E294-K297 PolarHBondContact O-N 3.2Å; K297-Q299 PolarHBondContact O-N 2.98Å; K297-Q299 VanDerWaalsContact O-N 3.11Å; K297-T300 PolarHBondContact O-N 3.09Å; K297-D301 WeakPolarHBondContact CE-OD2 3.34Å; K297-D301 WeakPolarHBondContact CG-OD2 3.16Å; K297-D301 WeakPolarHBondContact O-CB 3.38Å; K297-D301 PolarHBondContact O-N 2.9Å
298Q78.2Confident82.5Confident123 Ų123103.4 Ų103.458%0.57551%0.506SS*.Hα-helixtrans-62.2-18.2177.2-70.4172.112.500114E294 K295 P302E294-Q298 WeakPolarHBondContact O-CB 3.39Å; E294-Q298 VanDerWaalsContact O-CG 3.27Å; E294-Q298 WeakPolarHBondContact O-CG 3.5Å; E294-Q298 PolarHBondContact O-N 3.17Å; E294-Q298 PolarHBondContact OE1-NE2 3.13Å; K295-Q298 PolarHBondContact O-N 3.48Å; Q298-P302 VanDerWaalsContact O-CD 3.25Å; Q298-P302 WeakPolarHBondContact O-CD 3.34Å; Q298-P302 WeakPolarHBondContact O-CG 3.24Å
299Q78.6Confident82.9Confident141 Ų141103.9 Ų103.966%0.65951%0.509SS*.Hα-helixtrans-89.6-32.5170.9-171176.74.100112.6K295 R296 K297 S303K295-Q299 PolarHBondContact O-N 3.32Å; K295-Q299 VanDerWaalsContact O-N 3.13Å; R296-Q299 CarbonylContact O-C 3.55Å; R296-Q299 WeakPolarHBondContact O-CB 3.46Å; R296-Q299 PolarHBondContact O-N 3.48Å; R296-Q299 VanDerWaalsContact O-N 3.1Å; K297-Q299 PolarHBondContact O-N 2.98Å; K297-Q299 VanDerWaalsContact O-N 3.11Å; Q299-S303 PolarHBondContact O-OG 3.12Å
300T79.4Confident83.3Confident63 Ų63104.7 Ų104.739%0.38751%0.514SS..Hα-helixtrans-89.8-44.6-174.8-53.70000113.2R296 K297 S303 Q304R296-T300 WeakPolarHBondContact O-CB 3.37Å; R296-T300 PolarHBondContact O-N 3.4Å; R296-T300 PolarHBondContact O-OG1 3.19Å; K297-T300 PolarHBondContact O-N 3.09Å; T300-S303 PolarHBondContact O-N 3.43Å; T300-S303 PolarHBondContact O-OG 3.23Å; T300-Q304 WeakPolarHBondContact O-CB 3.25Å; T300-Q304 PolarHBondContact O-N 2.79Å
301D80.6Confident83.7Confident64 Ų64102.4 Ų102.434%0.34251%0.508SS..Hα-helixtrans-50.8-56176.9-88.3-19.1000112.4K297 S303 Q304 E305K297-D301 WeakPolarHBondContact CE-OD2 3.34Å; K297-D301 WeakPolarHBondContact CG-OD2 3.16Å; K297-D301 WeakPolarHBondContact O-CB 3.38Å; K297-D301 PolarHBondContact O-N 2.9Å; D301-S303 VanDerWaalsContact C-N 3.28Å; D301-S303 PolarHBondContact O-N 3.49Å; D301-Q304 CarbonylContact O-C 3.52Å; D301-Q304 PolarHBondContact O-N 2.84Å; D301-Q304 VanDerWaalsContact O-N 3.09Å; D301-E305 WeakPolarHBondContact O-CB 3.48Å; D301-E305 WeakPolarHBondContact O-CG 3.43Å; D301-E305 PolarHBondContact O-N 3.42Å
302P77.9Confident84Confident54 Ų5498.2 Ų98.235%0.35150%0.497SS..Hα-helixtrans-65.8-29.9-177.125.7-35000112.9Q298 Q306Q298-P302 VanDerWaalsContact O-CD 3.25Å; Q298-P302 WeakPolarHBondContact O-CD 3.34Å; Q298-P302 WeakPolarHBondContact O-CG 3.24Å; P302-Q306 VanDerWaalsContact O-CB 3.28Å; P302-Q306 WeakPolarHBondContact O-CB 3.35Å; P302-Q306 WeakPolarHBondContact O-CG 3.09Å; P302-Q306 PolarHBondContact O-N 3.38Å
303S77.5Confident84.5Confident51 Ų5198.6 Ų98.636%0.35750%0.496SS..Hα-helixtrans-72.8-37.3173.361.80000112.2Q299 T300 D301 Q306 I307Q299-S303 PolarHBondContact O-OG 3.12Å; T300-S303 PolarHBondContact O-N 3.43Å; T300-S303 PolarHBondContact O-OG 3.23Å; D301-S303 VanDerWaalsContact C-N 3.28Å; D301-S303 PolarHBondContact O-N 3.49Å; S303-Q306 PolarHBondContact O-N 3.42Å; S303-I307 WeakPolarHBondContact O-CB 3.47Å; S303-I307 WeakPolarHBondContact O-CD1 3.49Å; S303-I307 VanDerWaalsContact O-CG1 3.22Å; S303-I307 WeakPolarHBondContact O-CG1 3.45Å; S303-I307 PolarHBondContact O-N 2.88Å
304Q81.2Confident85Confident106 Ų10698 Ų9850%0.49549%0.493SS..Hα-helixtrans-68.3-42.6174.6-178.5173.9-34.200111.3T300 D301 I307 L308T300-Q304 WeakPolarHBondContact O-CB 3.25Å; T300-Q304 PolarHBondContact O-N 2.79Å; D301-Q304 CarbonylContact O-C 3.52Å; D301-Q304 PolarHBondContact O-N 2.84Å; D301-Q304 VanDerWaalsContact O-N 3.09Å; Q304-I307 PolarHBondContact O-N 3.18Å; Q304-L308 HydrophobicContact CG-CD1 4.13Å; Q304-L308 WeakPolarHBondContact O-CB 3.43Å; Q304-L308 VanDerWaalsContact O-CG 3.29Å; Q304-L308 WeakPolarHBondContact O-CG 3.35Å; Q304-L308 PolarHBondContact O-N 3.27Å
305E83.5Confident85.4Confident135 Ų135100.1 Ų100.163%0.63150%0.503SS*.Hα-helixtrans-63.8-40.1173.6-72.2-172.8157.300112D301 L308 S309D301-E305 WeakPolarHBondContact O-CB 3.48Å; D301-E305 WeakPolarHBondContact O-CG 3.43Å; D301-E305 PolarHBondContact O-N 3.42Å; E305-L308 PolarHBondContact O-N 3.17Å; E305-S309 WeakPolarHBondContact O-CB 3.25Å; E305-S309 PolarHBondContact O-N 2.82Å
306Q87.1Confident85.9Confident131 Ų13197.7 Ų97.761%0.61250%0.5SS*.Hα-helixtrans-63.4-40.5173.2-78.716910.600112.4P302 S303 T310P302-Q306 VanDerWaalsContact O-CB 3.28Å; P302-Q306 WeakPolarHBondContact O-CB 3.35Å; P302-Q306 WeakPolarHBondContact O-CG 3.09Å; P302-Q306 PolarHBondContact O-N 3.38Å; S303-Q306 PolarHBondContact O-N 3.42Å; Q306-T310 VanDerWaalsContact O-CB 3.27Å; Q306-T310 WeakPolarHBondContact O-CB 3.34Å; Q306-T310 PolarHBondContact O-N 2.71Å; Q306-T310 PolarHBondContact O-OG1 3.06Å
307I86.4Confident86.5Confident104 Ų10495.4 Ų95.453%0.53350%0.496SS..Hα-helixtrans-64.9-47.2174.8-70.9163.2000110.5S303 Q304 S309 T310 L311S303-I307 WeakPolarHBondContact O-CB 3.47Å; S303-I307 WeakPolarHBondContact O-CD1 3.49Å; S303-I307 VanDerWaalsContact O-CG1 3.22Å; S303-I307 WeakPolarHBondContact O-CG1 3.45Å; S303-I307 PolarHBondContact O-N 2.88Å; Q304-I307 PolarHBondContact O-N 3.18Å; I307-S309 PolarHBondContact O-N 3.39Å; I307-T310 PolarHBondContact O-N 3.46Å; I307-L311 HydrophobicContact CG2-CD1 3.93Å; I307-L311 HydrophobicContact CG2-CG 4.42Å; I307-L311 WeakPolarHBondContact O-CB 3.3Å; I307-L311 VanDerWaalsContact O-CG 3.32Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 3.39Å
308L86.9Confident86.9Confident95 Ų9596.1 Ų96.150%0.49750%0.504SS..Hα-helixtrans-64.8-39178.2-70.6171000112.7Q304 E305 L311 T312Q304-L308 HydrophobicContact CG-CD1 4.13Å; Q304-L308 WeakPolarHBondContact O-CB 3.43Å; Q304-L308 VanDerWaalsContact O-CG 3.29Å; Q304-L308 WeakPolarHBondContact O-CG 3.35Å; Q304-L308 PolarHBondContact O-N 3.27Å; E305-L308 PolarHBondContact O-N 3.17Å; L308-L311 PolarHBondContact O-N 2.93Å; L308-T312 WeakPolarHBondContact O-CB 3.4Å; L308-T312 WeakPolarHBondContact O-CG2 3.25Å; L308-T312 PolarHBondContact O-N 3.29Å; L308-T312 PolarHBondContact O-OG1 2.9Å
309S88.9Confident87.5Confident76 Ų7696.4 Ų96.453%0.53151%0.505SS..Hα-helixtrans-63.6-41.6173.4-176.40000111.4E305 I307 T312 H313E305-S309 WeakPolarHBondContact O-CB 3.25Å; E305-S309 PolarHBondContact O-N 2.82Å; I307-S309 PolarHBondContact O-N 3.39Å; S309-T312 PolarHBondContact O-OG1 2.89Å; S309-H313 WeakPolarHBondContact O-CB 3.42Å; S309-H313 PolarHBondContact O-N 3.05Å
310T93.1Very high88.2Confident78 Ų7893 Ų9348%0.47949%0.49SS..Hα-helixtrans-67.9-42.5176.9-59.20000111.5Q306 I307 H313 L314Q306-T310 VanDerWaalsContact O-CB 3.27Å; Q306-T310 WeakPolarHBondContact O-CB 3.34Å; Q306-T310 PolarHBondContact O-N 2.71Å; Q306-T310 PolarHBondContact O-OG1 3.06Å; I307-T310 PolarHBondContact O-N 3.46Å; T310-H313 PolarHBondContact O-N 2.68Å; T310-L314 HydrophobicContact CG2-CD1 4.02Å; T310-L314 WeakPolarHBondContact O-CB 3.34Å; T310-L314 VanDerWaalsContact O-CG 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.47Å; T310-L314 PolarHBondContact O-N 3.2Å
311L91.6Very high88.6Confident92 Ų9296 Ų9648%0.48250%0.499SS..Hα-helixtrans-62.6-50.4176-73.8171000111.6I307 L308 H313 L314 E315I307-L311 HydrophobicContact CG2-CD1 3.93Å; I307-L311 HydrophobicContact CG2-CG 4.42Å; I307-L311 WeakPolarHBondContact O-CB 3.3Å; I307-L311 VanDerWaalsContact O-CG 3.32Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 3.39Å; L308-L311 PolarHBondContact O-N 2.93Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 3.02Å; L311-L314 CarbonylContact O-C 3.57Å; L311-L314 PolarHBondContact O-N 3.46Å; L311-L314 VanDerWaalsContact O-N 3.11Å; L311-E315 WeakPolarHBondContact O-CG 3.49Å; L311-E315 PolarHBondContact O-N 3.41Å
312T92.6Very high89.1Confident76 Ų7699.4 Ų99.447%0.46651%0.511SS..Hα-helixtrans-64.8-34.3178.750.30000112.6L308 S309 E315 V316L308-T312 WeakPolarHBondContact O-CB 3.4Å; L308-T312 WeakPolarHBondContact O-CG2 3.25Å; L308-T312 PolarHBondContact O-N 3.29Å; L308-T312 PolarHBondContact O-OG1 2.9Å; S309-T312 PolarHBondContact O-OG1 2.89Å; T312-E315 PolarHBondContact O-N 3.39Å; T312-V316 WeakPolarHBondContact O-CG2 3.48Å; T312-V316 PolarHBondContact O-N 3.16Å; T312-V316 VanDerWaalsContact O-N 3.11Å
313H95.6Very high89.7Confident105 Ų105102.2 Ų102.249%0.48652%0.517SS..Hα-helixtrans-63.7-44.1170174.7-101.8000112.2S309 T310 L311 V316 Q317S309-H313 WeakPolarHBondContact O-CB 3.42Å; S309-H313 PolarHBondContact O-N 3.05Å; T310-H313 PolarHBondContact O-N 2.68Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 3.02Å; H313-V316 PolarHBondContact O-N 3.2Å; H313-Q317 PolarHBondContact CE1-NE2 3.14Å; H313-Q317 WeakPolarHBondContact O-CG 3.44Å; H313-Q317 PolarHBondContact O-N 2.88Å
314L94.1Very high90.1Very high80 Ų80104.8 Ų104.842%0.41952%0.524SS..Hα-helixtrans-65.7-37.1176.2-72.8168.4000112.3T310 L311 Q317 L318T310-L314 HydrophobicContact CG2-CD1 4.02Å; T310-L314 WeakPolarHBondContact O-CB 3.34Å; T310-L314 VanDerWaalsContact O-CG 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.47Å; T310-L314 PolarHBondContact O-N 3.2Å; L311-L314 CarbonylContact O-C 3.57Å; L311-L314 PolarHBondContact O-N 3.46Å; L311-L314 VanDerWaalsContact O-N 3.11Å; L314-Q317 PolarHBondContact O-N 3Å; L314-L318 WeakPolarHBondContact O-CB 3.3Å; L314-L318 VanDerWaalsContact O-CG 3.31Å; L314-L318 WeakPolarHBondContact O-CG 3.26Å; L314-L318 PolarHBondContact O-N 3.4Å
315E93.1Very high90.2Very high127 Ų127106.5 Ų106.559%0.59353%0.532SS*.Hα-helixtrans-60.2-46.8173.1-73.4177.914800111.5L311 T312 Q317 L318 E319L311-E315 WeakPolarHBondContact O-CG 3.49Å; L311-E315 PolarHBondContact O-N 3.41Å; T312-E315 PolarHBondContact O-N 3.39Å; E315-Q317 PolarHBondContact O-N 3.12Å; E315-L318 PolarHBondContact O-N 3.04Å; E315-E319 PolarHBondContact O-N 3.09Å
316V94.8Very high90.2Very high100 Ų100106.3 Ų106.361%0.60653%0.531SS*.Hα-helixtrans-63.2-40.4175.6171.60000111.5T312 H313 E319 E320T312-V316 WeakPolarHBondContact O-CG2 3.48Å; T312-V316 PolarHBondContact O-N 3.16Å; T312-V316 VanDerWaalsContact O-N 3.11Å; H313-V316 PolarHBondContact O-N 3.2Å; V316-E319 PolarHBondContact O-N 3.38Å; V316-E320 WeakPolarHBondContact O-CB 3.4Å; V316-E320 PolarHBondContact O-N 3.46Å
317Q93.2Very high90.1Very high97 Ų97103.7 Ų103.745%0.45352%0.524SS..Hα-helixtrans-64.4-40.4174.7-74.7-169.5-28.300112.5H313 L314 E315 Q321H313-Q317 PolarHBondContact CE1-NE2 3.14Å; H313-Q317 WeakPolarHBondContact O-CG 3.44Å; H313-Q317 PolarHBondContact O-N 2.88Å; L314-Q317 PolarHBondContact O-N 3Å; E315-Q317 PolarHBondContact O-N 3.12Å; Q317-Q321 VanDerWaalsContact O-CB 3.29Å; Q317-Q321 WeakPolarHBondContact O-CB 3.48Å; Q317-Q321 VanDerWaalsContact O-CG 3.22Å; Q317-Q321 WeakPolarHBondContact O-CG 3.47Å; Q317-Q321 PolarHBondContact O-N 3.14Å
318L90.5Very high89.8Confident121 Ų121107.8 Ų107.863%0.63453%0.533SS*.Hα-helixtrans-66.7-38.9175.6-75.1172.7000112L314 E315 K322L314-L318 WeakPolarHBondContact O-CB 3.3Å; L314-L318 VanDerWaalsContact O-CG 3.31Å; L314-L318 WeakPolarHBondContact O-CG 3.26Å; L314-L318 PolarHBondContact O-N 3.4Å; E315-L318 PolarHBondContact O-N 3.04Å; L318-K322 WeakPolarHBondContact O-CB 3.16Å; L318-K322 PolarHBondContact O-N 3.24Å
319E91.5Very high89.3Confident128 Ų128106.3 Ų106.360%0.59853%0.534SS*.Hα-helixtrans-69.7-39.3177.6-173149.9-106.200112.2E315 V316 K322 K323E315-E319 PolarHBondContact O-N 3.09Å; V316-E319 PolarHBondContact O-N 3.38Å; E319-K322 PolarHBondContact O-N 2.84Å; E319-K323 VanDerWaalsContact O-CB 3.22Å; E319-K323 WeakPolarHBondContact O-CB 3.3Å; E319-K323 PolarHBondContact O-N 2.93Å
320E91.9Very high88.5Confident71 Ų71109 Ų10933%0.33254%0.542SS..Hα-helixtrans-68.8-40.6173.2-177.656.6-149.800112V316 K323 Q324V316-E320 WeakPolarHBondContact O-CB 3.4Å; V316-E320 PolarHBondContact O-N 3.46Å; E320-K323 PolarHBondContact O-N 3.38Å; E320-K323 IonicContact OE1-NZ 3.32Å; E320-K323 WeakPolarHBondContact OE2-CD 3.47Å; E320-K323 WeakPolarHBondContact OE2-CE 3.34Å; E320-K323 IonicContact OE2-NZ 3.87Å; E320-K323 PolarHBondContact OE2-NZ 2.81Å; E320-Q324 WeakPolarHBondContact O-CB 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.35Å; E320-Q324 PolarHBondContact O-N 3.26Å; E320-Q324 WeakPolarHBondContact OE1-CG 3.38Å; E320-Q324 PolarHBondContact OE1-NE2 3.31Å
321Q89.4Confident87.3Confident126 Ų126112.1 Ų112.159%0.58956%0.555SS**Hα-helixtrans-56.7-50170.9-81.7-79.82.400111.7Q317 K323 Q324 Q325Q317-Q321 VanDerWaalsContact O-CB 3.29Å; Q317-Q321 WeakPolarHBondContact O-CB 3.48Å; Q317-Q321 VanDerWaalsContact O-CG 3.22Å; Q317-Q321 WeakPolarHBondContact O-CG 3.47Å; Q317-Q321 PolarHBondContact O-N 3.14Å; Q321-K323 VanDerWaalsContact C-N 3.34Å; Q321-K323 PolarHBondContact O-N 2.8Å; Q321-Q324 PolarHBondContact O-N 2.93Å; Q321-Q325 WeakPolarHBondContact O-CB 3.46Å; Q321-Q325 PolarHBondContact O-N 2.8Å
322K90.8Very high85.8Confident135 Ų135112.1 Ų112.159%0.58756%0.562SS**Hα-helixtrans-59.5-41.9177.5175.3-175.2174.6-168.20112L318 E319 Q325 Q326L318-K322 WeakPolarHBondContact O-CB 3.16Å; L318-K322 PolarHBondContact O-N 3.24Å; E319-K322 PolarHBondContact O-N 2.84Å; K322-Q325 PolarHBondContact O-N 2.79Å; K322-Q326 WeakPolarHBondContact O-CB 3.37Å; K322-Q326 PolarHBondContact O-N 2.74Å
323K89.6Confident83.5Confident112 Ų112112.7 Ų112.749%0.48757%0.57SS.*Hα-helixtrans-66.1-43.8175.2173.4178.7152.6-145.50112E319 E320 Q321 Q326 V327E319-K323 VanDerWaalsContact O-CB 3.22Å; E319-K323 WeakPolarHBondContact O-CB 3.3Å; E319-K323 PolarHBondContact O-N 2.93Å; E320-K323 PolarHBondContact O-N 3.38Å; E320-K323 IonicContact OE1-NZ 3.32Å; E320-K323 WeakPolarHBondContact OE2-CD 3.47Å; E320-K323 WeakPolarHBondContact OE2-CE 3.34Å; E320-K323 IonicContact OE2-NZ 3.87Å; E320-K323 PolarHBondContact OE2-NZ 2.81Å; Q321-K323 VanDerWaalsContact C-N 3.34Å; Q321-K323 PolarHBondContact O-N 2.8Å; K323-Q326 PolarHBondContact O-N 3.13Å; K323-V327 WeakPolarHBondContact O-CG2 3.39Å; K323-V327 PolarHBondContact O-N 3.37Å
324Q86.6Confident81.3Confident106 Ų106113.4 Ų113.450%0.49558%0.583SS.*Hα-helixtrans-64.5-40.9173.9-72179.524.700111.7E320 Q321 Q326 V327 R328E320-Q324 WeakPolarHBondContact O-CB 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.35Å; E320-Q324 PolarHBondContact O-N 3.26Å; E320-Q324 WeakPolarHBondContact OE1-CG 3.38Å; E320-Q324 PolarHBondContact OE1-NE2 3.31Å; Q321-Q324 PolarHBondContact O-N 2.93Å; Q324-Q326 VanDerWaalsContact C-N 3.34Å; Q324-Q326 PolarHBondContact O-N 3.07Å; Q324-V327 PolarHBondContact O-N 3.01Å; Q324-R328 VanDerWaalsContact O-CB 3.27Å; Q324-R328 WeakPolarHBondContact O-CB 3.38Å; Q324-R328 PolarHBondContact O-N 3.14Å
325Q83.8Confident78.9Confident142 Ų142118.7 Ų118.766%0.66461%0.606SS**Hα-helixtrans-62.9-40.1174.6-165.9-179.936.300111.6Q321 K322 R328 A329Q321-Q325 WeakPolarHBondContact O-CB 3.46Å; Q321-Q325 PolarHBondContact O-N 2.8Å; K322-Q325 PolarHBondContact O-N 2.79Å; Q325-R328 PolarHBondContact O-N 2.85Å; Q325-A329 WeakPolarHBondContact O-CB 3.35Å; Q325-A329 PolarHBondContact O-N 3.48Å
326Q82.4Confident76.2Confident130 Ų130117.2 Ų117.261%0.60762%0.615SS**Hα-helixtrans-64.2-45.5174.3-170.5179.226.600112K322 K323 Q324 R328 A329 L330K322-Q326 WeakPolarHBondContact O-CB 3.37Å; K322-Q326 PolarHBondContact O-N 2.74Å; K323-Q326 PolarHBondContact O-N 3.13Å; Q324-Q326 VanDerWaalsContact C-N 3.34Å; Q324-Q326 PolarHBondContact O-N 3.07Å; Q326-R328 VanDerWaalsContact C-N 3.35Å; Q326-A329 PolarHBondContact O-N 3.49Å; Q326-L330 HydrophobicContact CG-CD1 4.46Å; Q326-L330 VanDerWaalsContact O-CG 3.31Å; Q326-L330 WeakPolarHBondContact O-CG 3.39Å; Q326-L330 PolarHBondContact O-N 3.27Å
327V84.5Confident73.5Confident77 Ų77119.1 Ų119.147%0.46763%0.627SS.*Hα-helixtrans-62.2-42.5175170.80000111K323 Q324 L330 L331K323-V327 WeakPolarHBondContact O-CG2 3.39Å; K323-V327 PolarHBondContact O-N 3.37Å; Q324-V327 PolarHBondContact O-N 3.01Å; V327-L330 PolarHBondContact O-N 3.47Å; V327-L331 HydrophobicContact CG1-CD1 3.92Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CG 3.48Å; V327-L331 PolarHBondContact O-N 3.17Å
328R80.8Confident71.2Confident190 Ų190124.3 Ų124.372%0.71765%0.648SS**Hα-helixtrans-61.8-45.2176.7-157.6176.2-153.1148.83.3111.4Q324 Q325 Q326 L330 L331 S332Q324-R328 VanDerWaalsContact O-CB 3.27Å; Q324-R328 WeakPolarHBondContact O-CB 3.38Å; Q324-R328 PolarHBondContact O-N 3.14Å; Q325-R328 PolarHBondContact O-N 2.85Å; Q326-R328 VanDerWaalsContact C-N 3.35Å; R328-L330 VanDerWaalsContact C-N 3.34Å; R328-L330 PolarHBondContact O-N 3.48Å; R328-L331 PolarHBondContact O-N 2.81Å; R328-S332 WeakPolarHBondContact O-CB 3.41Å; R328-S332 PolarHBondContact O-N 2.92Å; R328-S332 PolarHBondContact O-OG 3.02Å; R328-S332 VanDerWaalsContact O-OG 3.09Å
329A76.8Confident68.5Low64 Ų64124 Ų12453%0.52966%0.657SS.*Hα-helixtrans-62.1-37.8175.800000112.9Q325 Q326 S332Q325-A329 WeakPolarHBondContact O-CB 3.35Å; Q325-A329 PolarHBondContact O-N 3.48Å; Q326-A329 PolarHBondContact O-N 3.49Å; A329-S332 PolarHBondContact O-N 3.16Å
330L71.1Confident65.9Low131 Ų131127.7 Ų127.769%0.68667%0.67SS**Hα-helixtrans-67.4-35.6174.4-71168.5000112.5Q326 V327 R328Q326-L330 HydrophobicContact CG-CD1 4.46Å; Q326-L330 VanDerWaalsContact O-CG 3.31Å; Q326-L330 WeakPolarHBondContact O-CG 3.39Å; Q326-L330 PolarHBondContact O-N 3.27Å; V327-L330 PolarHBondContact O-N 3.47Å; R328-L330 VanDerWaalsContact C-N 3.34Å; R328-L330 PolarHBondContact O-N 3.48Å
331L69.4Low63.1Low145 Ų145128.1 Ų128.176%0.75969%0.686SS**Hα-helixtrans-77.9-23.7177.2-68.7171.4000113.5V327 R328 S333V327-L331 HydrophobicContact CG1-CD1 3.92Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CG 3.48Å; V327-L331 PolarHBondContact O-N 3.17Å; R328-L331 PolarHBondContact O-N 2.81Å; L331-S333 VanDerWaalsContact C-N 3.33Å; L331-S333 PolarHBondContact O-N 3.14Å
332S59.9Low60.4Low91 Ų91128.4 Ų128.464%0.63670%0.697SS**THydrogen-bonded Turntrans-84.85.3179.1-64.90000114.9R328 A329 P334R328-S332 WeakPolarHBondContact O-CB 3.41Å; R328-S332 PolarHBondContact O-N 2.92Å; R328-S332 PolarHBondContact O-OG 3.02Å; R328-S332 VanDerWaalsContact O-OG 3.09Å; A329-S332 PolarHBondContact O-N 3.16Å; S332-P334 WeakPolarHBondContact O-CD 3.05Å
333S44Very low57.7Low88 Ų88126.1 Ų126.162%0.61570%0.702SS**  trans-89.3118.1-178-168.60000112.6L331L331-S333 VanDerWaalsContact C-N 3.33Å; L331-S333 PolarHBondContact O-N 3.14Å
334P48.6Very low55.1Low120 Ų120130.7 Ų130.778%0.77972%0.722SS**  trans-67.1137.5178.5-20.533.7000112.8S332 A336S332-P334 WeakPolarHBondContact O-CD 3.05Å; P334-A336 PolarHBondContact O-N 3.25Å
335Q43.7Very low52.7Low192 Ų192137.1 Ų137.190%0.89774%0.742SS**  trans-67.9113.1178.1-73.8-170.7-6.100112.5
336A37.2Very low51.2Low95 Ų95135.2 Ų135.279%0.78574%0.742SS**PPolyproline II helixtrans-72.8129.2159.200000110.3P334P334-A336 PolarHBondContact O-N 3.25Å
337V37.3Very low48.8Very low141 Ų141135.1 Ų135.186%0.85575%0.751SS**PPolyproline II helixtrans-70.3135.3-171.2179.50000112.1
338K46.2Very low46.4Very low205 Ų205141 Ų14189%0.89177%0.77SS**PPolyproline II helixtrans-83.7120175.3-66.4174.4-178.9170.10111.6
339S34Very low44.6Very low116 Ų116142.7 Ų142.781%0.81178%0.776SS**PPolyproline II helixtrans-100.8140160.452.30000111.3
340K36.6Very low42.9Very low205 Ų205145.9 Ų145.989%0.89179%0.791SS**PPolyproline II helixtrans-72.7166.6169.8-64.5174.4178171.20108.6
341A32.4Very low41.3Very low79 Ų79149.4 Ų149.465%0.65380%0.796SS**  cis-163.1160.531.800000116.4
342T32.7Very low39.9Very low133 Ų133150.5 Ų150.582%0.81680%0.802SS**  trans56.8115.2141.1490000123.4
343A33.4Very low38.6Very low86 Ų86153.6 Ų153.671%0.71181%0.806SS**  100108.1119.900000122.2
344K35.9Very low38.7Very low208 Ų208160.2 Ų160.290%0.90482%0.817SS**  trans69.699.8136.6-61.3-175179.8-178.90120.8
345R35.8Very low38.4Very low241 Ų241160.6 Ų160.691%0.90982%0.819SS**  trans-38.9174.1146.7-89.1-177.8-177-179.42116.1
346P52.6Low37.8Very low103 Ų103156.2 Ų156.267%0.66982%0.816SS**  cis-137.4170.2-6.433.4-14.2000116.6
347T32.4Very low37.9Very low128 Ų128157.2 Ų157.279%0.78582%0.817SS**  -171.3143.5114.819.30000114.9
348K32.7Very low37.7Very low201 Ų201157 Ų15787%0.87482%0.816SS**  trans42103.3154.8-61.5-179-179.3-1800120.7
349R44.1Very low37.1Very low225 Ų225152 Ų15285%0.84980%0.804SS**  trans-102.5160139-88.4-170.9-179.4-178.1-0.6108.9
350P41.6Very low37.1Very low130 Ų130152.1 Ų152.184%0.84480%0.799SS**  -106.8175.7118.6-17.934.1000113.7
351R37Very low37Very low206 Ų206149.4 Ų149.478%0.77779%0.794SS**  trans-135.9138.1-169.3-174.4-173.4-175.9-175.20.9110.4
352L40.6Very low37Very low168 Ų168151.9 Ų151.988%0.8880%0.795SS**  trans-75.8142.6172.1-150.684000110.8
353H32.5Very low36.9Very low156 Ų156151.4 Ų151.472%0.72279%0.792SS**  trans-158.7140.7161.2-136.1-92.8000112.5
354R46Very low36.9Very low227 Ų227152.8 Ų152.886%0.85780%0.797SS**  trans-103.9159.7159-83.7-177.5168.3129.3-7.1108.9
355P42.8Very low37.4Very low127 Ų127148.1 Ų148.183%0.82579%0.788SS**  trans-126.8166.9148.736.5-25.8000112.6
356A30.3Very low37.1Very low100 Ų100143.9 Ų143.983%0.82678%0.782SS**  trans-109.4-179.7163.400000109.8
357S39.5Very low35.9Very low116 Ų116143.2 Ų143.281%0.81178%0.78SS**  trans-89.4-176.7-156.7-45.60000116.8
358T31.7Very low35.9Very low136 Ų136144.9 Ų144.983%0.83478%0.778SS**  trans86.6145.6164.7-120.90000115.8
359T34.7Very low35.9Very low102 Ų102142.3 Ų142.363%0.62677%0.769SS**  cis-162159.13.9-174.80000113
360T33.6Very low35.2Very low117 Ų117137.4 Ų137.472%0.71877%0.765SS**  trans56.6-178162.954.10000118.6
361L34.8Very low34.5Very low148 Ų148136.6 Ų136.678%0.77576%0.757SS**  cis-158.8-172-44.6-96.7169.5000107
362L32.9Very low34.2Very low132 Ų132135 Ų13569%0.69176%0.763SS**  cis-157.3177.93.4-134.4-172.8000109.5
363T30.9Very low33.7Very low122 Ų122134 Ų13475%0.74875%0.754SS**  trans57.9131.3155.948.10000123.2
364S31.8Very low34Very low115 Ų115131.9 Ų131.980%0.80475%0.754SS**  trans-82.2-173163.1-24.60000111.6
365P47.3Very low33.3Very low111 Ų111127.4 Ų127.472%0.72174%0.743SS**  cis-149.8-177.328.241.4-17.9000120
366I29.4Very low32.7Very low152 Ų152127.8 Ų127.878%0.77973%0.734SS**  trans94.1119.7136.8-107.2167.9000123.4
367S27.6Very low32.5Very low89 Ų89131.6 Ų131.662%0.62273%0.732SS**  trans80.8128.5139.7-67.50000125.5
368Q32.6Very low32Very low162 Ų162131.9 Ų131.976%0.75773%0.729SS**  trans73.9145146.7-67.6178.1123.300118.6
369Q33.3Very low31.8Very low148 Ų148132 Ų13269%0.69273%0.729SS**  cis-167.4139.7-9.5-126.4168.89.700111.7
370T27.8Very low31.6Very low122 Ų122135.1 Ų135.175%0.74874%0.741SS**  trans55.5159.8153.135.90000120.3
371T28.2Very low31.6Very low112 Ų112135 Ų13569%0.68775%0.745SS**  cis-1541504.7-2.60000111.8
372L29.4Very low31.8Very low173 Ų173134.1 Ų134.191%0.90675%0.748SS**  trans68.1151.6148.6-70.7163.5000122
373Q31.7Very low31.7Very low146 Ų146135 Ų13568%0.68275%0.752SS**  trans-115.8171.4-175-152.7-155.464.100109.8
374P38.3Very low31.8Very low112 Ų112134 Ų13473%0.72775%0.75SS**  -145.3150.288.736.6-20.4000116
375Q30.4Very low31.6Very low134 Ų134135.9 Ų135.963%0.62675%0.75SS**  trans45134.5141.6-51.3-71.1-7500118.7
376Q29.9Very low30.6Very low135 Ų135135.8 Ų135.863%0.63175%0.752SS**  cis-172.1149.118.7-126.2171.73300110.6
377F27.6Very low30.5Very low179 Ų179133.8 Ų133.879%0.78575%0.752SS**  trans59.8144.5161.4-64.9-61.2000118.9
378T27.7Very low30.7Very low122 Ų122136.1 Ų136.175%0.74876%0.762SS**  cis-146.7148-4.4-82.60000108.7
379V28.6Very low30.4Very low139 Ų139131.3 Ų131.384%0.84276%0.756SS**  trans-105.3153.3173.5177.20000110.9
380L30.4Very low30.6Very low168 Ų168132.8 Ų132.888%0.8876%0.763SS**  trans-73.8132.2-159.8-67.5164.5000116.1
381S32.6Very low30.9Very low114 Ų114131.4 Ų131.480%0.79776%0.756SS**  trans-161.8149.6157.4-67.30000105.3
382P38.6Very low31Very low129 Ų129136.4 Ų136.484%0.83877%0.769SS**  cis-147.4-151.14544-22.5000114.3
383I32.2Very low31Very low152 Ų152134.1 Ų134.178%0.77976%0.762SS**  trans-107.7136.3179.1-66165.7000110.7
384S32.2Very low31Very low100 Ų100133.9 Ų133.970%0.69977%0.77SS**  trans63.7156.9164.8-60.70000117.2
385L27.4Very low30.7Very low155 Ų155133.3 Ų133.381%0.81278%0.775SS**  cis-158.2158.342.4-85.3168.2000114.3
386S27.2Very low30.7Very low109 Ų109130.5 Ų130.576%0.76278%0.782SS**  trans53.8126.4143.6-57.70000123.3
387S26.8Very low30.9Very low110 Ų110132 Ų13277%0.76979%0.793SS**  162.3158.199-162.60000113.7
388V31.9Very low31.9Very low137 Ų137128 Ų12883%0.8379%0.786SS**  trans63.2133.9171.1-1680000116.9
389G26.6Very low32.1Very low62 Ų62130 Ų13064%0.63979%0.79SS**  cis123.881.2-11.700000116.5
390Q36.3Very low32.3Very low178 Ų178127.6 Ų127.683%0.83278%0.784SS**  trans-160.4139.3159.5-96.2-59.5-71.300110.4
391P35.4Very low32.3Very low93 Ų93124.7 Ų124.760%0.60478%0.779SS**  trans-98.4151.9170.936.9-31.5000112.8
392F28.8Very low32.3Very low217 Ų217127.2 Ų127.295%0.95278%0.782SS**  trans-73.8149.4166.2-75.3-85.2000111.2
393T30.8Very low31.9Very low125 Ų125124.9 Ų124.977%0.76777%0.774SS**  trans-132.6172.3-172.2-55.70000109.6
394V30.8Very low32Very low141 Ų141126 Ų12686%0.85578%0.776SS**  trans92.1127.6177.6-176.90000113.9
395A32.1Very low32.1Very low100 Ų100126 Ų12683%0.82678%0.775SS**  cis-162.3149.4-22.100000110.2
396G31.2Very low32.1Very low75 Ų75123.6 Ų123.677%0.77377%0.771SS**  trans168.8117.6174.200000112.1
397L34.8Very low32.1Very low166 Ų166126.2 Ų126.287%0.86978%0.777SS**  trans-129.5167.7-166.4-78.7175.4000110.5
398P46.9Very low32.3Very low97 Ų97127.5 Ų127.563%0.6378%0.78SS**  cis-147.3-167.6-28.339.6-20.1000115.3
399I31.9Very low32.4Very low164 Ų164126.8 Ų126.884%0.84178%0.776SS**  trans75136.3159.8-63.4163.9000115.5
400A33.7Very low32.5Very low87 Ų87130.3 Ų130.372%0.71979%0.786SS**  cis-137.1149.32.400000109
401S31.3Very low32.4Very low108 Ų108129.1 Ų129.176%0.75578%0.784SS**  cis94.982.147.5-175.30000115.6
402L32.4Very low32.2Very low166 Ų166132.9 Ų132.987%0.86980%0.798SS**  trans-164.5126.3141.8-124.164.7000107.7
403A29.2Very low32.8Very low80 Ų80127.7 Ų127.766%0.66179%0.786SS**  57.2134.4100.900000115.3
404Q34.8Very low32.9Very low177 Ų177126.7 Ų126.783%0.82779%0.79SS**  cis-163.2157.67.8-127.8163.2-8.800111.1
405S33Very low32.7Very low98 Ų98123.5 Ų123.569%0.68579%0.787SS**  trans33.5115.5160.755.50000119.9
406S27.6Very low32.6Very low105 Ų105124.1 Ų124.173%0.73479%0.785SS**  61.711259.5-49.30000115.4
407N29.1Very low32.9Very low165 Ų165127.7 Ų127.788%0.88278%0.781SS**  179.9174.3112.3-88.5-29.8000113.5
408T30.3Very low32.7Very low136 Ų136128.2 Ų128.283%0.83478%0.784SS**  trans-110.3170-155.948.20000116.5
409V34.5Very low32Very low123 Ų123132.6 Ų132.675%0.74579%0.793SS**  trans-59.2145.5-177.8177.80000115.1L411V409-L411 HydrophobicContact CG1-CG 4.4Å
410T28.9Very low32Very low136 Ų136130.8 Ų130.883%0.83479%0.79SS**  trans-134.6138.9148.2-55.20000109.6
411L32.8Very low31.7Very low152 Ų152137.4 Ų137.480%0.79680%0.797SS**  trans-130.7138.5169.5-81.1170.8000108.7V409V409-L411 HydrophobicContact CG1-CG 4.4Å
412L31.4Very low31.7Very low172 Ų172142.2 Ų142.290%0.90180%0.8SS**  trans177.9167.9157-96.7160.3000107.8
413P42.5Very low31.4Very low108 Ų108142.7 Ų142.770%0.70180%0.8SS**  -124.5174.9-124.143.4-31.7000116.5
414A31.1Very low31.6Very low104 Ų104145.5 Ų145.586%0.8681%0.808SS**  trans69.3136.1159.500000118.6
415G27.4Very low31.7Very low75 Ų75142.2 Ų142.277%0.77381%0.811SS**  trans111.3113.3157.300000117.1
416S30.5Very low31.6Very low113 Ų113141.3 Ų141.379%0.7982%0.818SS**  trans69.8120.2146.9-1360000121.6
417Q37.2Very low31.9Very low150 Ų150144.4 Ų144.470%0.70183%0.826SS**  37.8118129.9-51.7-64.5100120.2
418L31.4Very low32.4Very low177 Ų177139.1 Ų139.193%0.92781%0.81SS**  trans-133123.7151.3-76.6178.3000111.1
419F31.6Very low32.7Very low188 Ų188142.8 Ų142.883%0.82582%0.815SS**  trans-78.9149.5173.9-86.1-109.7000111.4R421F419-R421 PolarHBondContact O-N 2.93Å
420T31.1Very low32.9Very low126 Ų126140.7 Ų140.777%0.77382%0.818SS**  trans-77.1112.7167.1-61.70000109.6Y422T420-Y422 HydrophobicContact CG2-CE2 4.39Å
421R27.9Very low33Very low226 Ų226142.1 Ų142.185%0.85382%0.82SS**  trans-95107.6177.4-174.8179.7-171168.73.7110.4F419F419-R421 PolarHBondContact O-N 2.93Å
422Y30.4Very low32.9Very low210 Ų210139.2 Ų139.282%0.82482%0.818SS**  trans-71142.5159.7-81.6-86.9000109.7T420T420-Y422 HydrophobicContact CG2-CE2 4.39Å
423M27.9Very low33Very low176 Ų176138.4 Ų138.487%0.86781%0.813SS**  trans-96.8122.9170.7-63.2-157.8-57.200109.8
424V32.6Very low32.5Very low139 Ų139139.9 Ų139.984%0.84282%0.82SS**  trans-124133.1159.4176.90000105.8
425A36.4Very low32.5Very low108 Ų108142.8 Ų142.889%0.89382%0.821SS**  trans-79.2125.8176.100000109.6
426G31.8Very low32.9Very low79 Ų79147.3 Ų147.381%0.81482%0.821SS**  trans-163.7139.817800000108.9
427D32.7Very low33.2Very low169 Ų169147.9 Ų147.990%0.90482%0.822SS**  trans-88158.2-170.7-174.841000113.2
428G40.7Very low33Very low54 Ų54145.4 Ų145.456%0.55782%0.821SS**SBendtrans75107.1148.400000118.7
429K36.3Very low33.2Very low214 Ų214142.6 Ų142.693%0.9382%0.816SS**  trans68.3106.5151-162.5179.2-175.6-177.70116.4
430G38.6Very low33.7Very low78 Ų78137.4 Ų137.480%0.80482%0.816SS**  trans-91.4158.217500000114.1
431D31.7Very low33.8Very low167 Ų167139.3 Ų139.389%0.89382%0.821SS**  trans-142.2153.8153.7-145.5-24000108.2
432A28.8Very low34.4Very low91 Ų91135.1 Ų135.175%0.75282%0.821SS**  trans-116.3118.8-164.400000113.3
433I34.7Very low34.2Very low155 Ų155132.8 Ų132.880%0.79582%0.821SS**  trans-119.1112.5176.9-52177.6000109.5
434T31.8Very low34.4Very low139 Ų139130.3 Ų130.385%0.85382%0.816SS**  trans-90.7132.1172.131.10000111.1
435L32Very low34.2Very low165 Ų165127 Ų12786%0.86481%0.81SS**  trans-122142.4172.3-66.7176.2000110.2
436H35.5Very low33.9Very low169 Ų169128 Ų12878%0.78281%0.805SS**  trans-104.8135.2-171.6-155.8-96.3000111.1S438H436-S438 PolarHBondContact O-N 2.99Å; H436-S438 VanDerWaalsContact O-N 3.08Å
437P35.4Very low33.9Very low126 Ų126131 Ų13182%0.81881%0.808SS**  trans-85.285.1-169.633.3-35.8000112.8
438S34.3Very low33.7Very low97 Ų97127.8 Ų127.868%0.67880%0.804SS**  trans-148.852.6173.661.60000114.2H436H436-S438 PolarHBondContact O-N 2.99Å; H436-S438 VanDerWaalsContact O-N 3.08Å
439S34.1Very low33.3Very low118 Ų118132.2 Ų132.283%0.82582%0.821SS**  trans-156.2136.7158.1-88.20000109.1
440G42.4Very low33.1Very low79 Ų79131 Ų13181%0.81482%0.818SS**  trans-88.6121177.200000111.6
441L33.1Very low32.7Very low167 Ų167134.2 Ų134.287%0.87482%0.817SS**  trans-136.7132169.7-73.1176000110.2
442T40.3Very low32.6Very low138 Ų138131.3 Ų131.385%0.84781%0.81SS**  trans-80.8115.6177.2-55.60000109.7
443L26.7Very low32.7Very low160 Ų160130.4 Ų130.484%0.83881%0.81SS**  trans-96.5100.2178.9-160.3114.7000111
444V32.8Very low32.6Very low124 Ų124132.2 Ų132.275%0.75281%0.814SS**PPolyproline II helixtrans-80.1149.2165.9178.70000109
445G28.8Very low32.6Very low70 Ų70133.9 Ų133.972%0.72282%0.817SS**PPolyproline II helixtrans-63148.3-167.500000115.4
446T30.1Very low32.5Very low128 Ų128129 Ų12979%0.78581%0.807SS**PPolyproline II helixtrans-85.1141.1-178.652.80000113.4
447T30.7Very low32.2Very low144 Ų144127.3 Ų127.388%0.88381%0.809SS**  trans-123.9121.3150.651.60000108.6
448A28.8Very low32Very low100 Ų100127.7 Ų127.783%0.82681%0.808SS**  trans-103.7134.4-176.100000111.7
449V33.4Very low31.6Very low148 Ų148131.4 Ų131.490%0.89782%0.817SS**  trans-136.7147164.4-175.30000107.3
450Q32.1Very low31.7Very low188 Ų188130.2 Ų130.288%0.87981%0.809SS**  trans-98.5145.4-174.9-60.7168-13.100110.7
451D28.7Very low31.2Very low146 Ų146132.1 Ų132.178%0.78181%0.807SS**  168.3153.9104.4-166.524.1000113.4
452S30.7Very low31Very low105 Ų105129.7 Ų129.773%0.73480%0.799SS**  trans16.7134.6156.2-64.50000123.3
453G30.5Very low30.6Very low73 Ų73131.3 Ų131.375%0.75380%0.797SS**  trans142.8100.213800000119.5
454Q32.5Very low30.6Very low192 Ų192131.2 Ų131.290%0.89780%0.796SS**  trans21.9127.7152.2-67-174.3-7.400123.2
455L32.2Very low30.3Very low175 Ų175132.2 Ų132.292%0.91680%0.802SS**  62.3115.8127.8-163.980.2000121.2
456G28.7Very low30.2Very low63 Ų63137 Ų13765%0.64981%0.805SS**  trans132.7126.9137.500000119.7
457T30.9Very low30.1Very low133 Ų133138.4 Ų138.482%0.81681%0.807SS**  trans46.2111.3143.548.10000123.1
458V29.6Very low29.9Very low133 Ų133136.7 Ų136.781%0.80680%0.801SS**  trans33.7123.9130.8-146.30000121.2
459M26.1Very low29.9Very low175 Ų175140.9 Ų140.986%0.86280%0.804SS**  trans143.5157.8132.2-78.4-152.676.200115
460S36.3Very low29.7Very low94 Ų94143 Ų14366%0.65780%0.803SS**  trans-51.9150.7-179.8-171.80000116.6
461P33.3Very low29.5Very low119 Ų119139 Ų13977%0.77380%0.803SS**  trans-109.2138.1150.635.6-26.1000113
462V28.7Very low29.3Very low116 Ų116135.4 Ų135.470%0.70380%0.8SS**  trans-109.2145.6162.9171.40000107.2
463E31.3Very low29Very low171 Ų171135.4 Ų135.480%0.79981%0.806SS**  trans36116.6164.5-66.1176160.700120.2
464L26.3Very low28.9Very low159 Ų159136.3 Ų136.383%0.83281%0.806SS**  177.4129.2116-12469.3000112.1
465V27.5Very low28.6Very low144 Ų144135.3 Ų135.387%0.87380%0.802SS**  trans-147.7129.8138.4-176.60000108.5
466H26.1Very low28.2Very low170 Ų170134 Ų13479%0.78779%0.793SS**  trans-139.3160.5166.6-125.9119.1000108.1
467L26.9Very low28.3Very low159 Ų159137.2 Ų137.283%0.83280%0.799SS**  trans69.2107.6178.2-76.372.5000117.9
468S26.6Very low28.7Very low107 Ų107135.5 Ų135.575%0.74879%0.791SS**  -162.9159.9100.860.70000107.9
469Q30.4Very low28.7Very low189 Ų189135.8 Ų135.888%0.88379%0.786SS**  cis-131.1-165.720.7-63.5175.411.600112.2
470H28.4Very low28.7Very low192 Ų192136.8 Ų136.889%0.88979%0.789SS**  trans-146.8117.2-152-168.389.3000113.9
471A27.9Very low28.3Very low105 Ų105135.7 Ų135.787%0.86879%0.792SS**  trans-170.3142.616200000108.8
472G25.7Very low28Very low69 Ų69138.7 Ų138.771%0.71180%0.796SS**  cis175.5154.2-8.900000111.1
473A24.4Very low28Very low106 Ų106138.4 Ų138.488%0.87679%0.794SS**  trans73116176.800000119
474A27Very low27.9Very low91 Ų91136.2 Ų136.275%0.75279%0.792SS**  trans-85.6-177.7141.300000108.4
475E26Very low28.2Very low171 Ų171136.3 Ų136.380%0.79979%0.793SS**  cis-140.7-156.511-133.4171.4100.600107.2
476M24.8Very low28.4Very low149 Ų149131.4 Ų131.473%0.73477%0.773SS**  cis-155.8178.210.9-150.5-169.1-177.400109.6
477V30.3Very low28.7Very low129 Ų129130 Ų13078%0.78278%0.776SS**  trans-131.5126.4169.3178.90000110.6
478P38.9Very low28.6Very low98 Ų98130.9 Ų130.964%0.63678%0.778SS**  -144.2129.3127.929.6-10.6000113.4
479I29Very low28.7Very low139 Ų139132.9 Ų132.971%0.71378%0.779SS**  105.8134.180.3-78.4167.3000113.7
480E27.1Very low28.6Very low195 Ų195130.3 Ų130.391%0.91178%0.777SS**  trans72148.7160.9-80.6165.9171.600124.1
481G28.1Very low28.4Very low71 Ų71128.4 Ų128.473%0.73277%0.768SS**  trans108.384.6-179.500000114.1
482Q25.8Very low28.4Very low182 Ų182130 Ų13085%0.8576%0.757SS**  54.4126.773.3-116-166.4-80.700113.6
483V29Very low28.5Very low110 Ų110133.7 Ų133.767%0.66776%0.756SS**  cis-152.3152.918.6-141.40000112.1
484V29.1Very low28.6Very low125 Ų125134.4 Ų134.476%0.75875%0.75SS**  trans46.6114.8149.91680000118.1
485D32.8Very low28.6Very low161 Ų161137.5 Ų137.586%0.86175%0.75SS**  -147.4-17266.3-144.228.9000112.5
486G31.5Very low28.8Very low42 Ų42137.5 Ų137.543%0.43375%0.75SS.*  cis-172-25.34.200000117.9
487T32.8Very low28.8Very low141 Ų141134 Ų13487%0.86575%0.752SS**  trans66.5156.7178.248.80000116.1
488M24.8Very low28.7Very low176 Ų176135.6 Ų135.687%0.86776%0.756SS**  cis-146172.545-84.9-175.161.900117
489L29.9Very low28.3Very low149 Ų149139 Ų13978%0.7877%0.766SS**  trans-102.4167.8179.5-65.5160.9000112.9
490V26.7Very low28.3Very low136 Ų136141.6 Ų141.682%0.82478%0.775SS**  trans172.6130.7132.9149.80000107.1
491Q24.5Very low28.5Very low152 Ų152137 Ų13771%0.7177%0.771SS**  cis110.4142.114.7-171.1171.998.100113.9
492Q27.9Very low28.6Very low138 Ų138137 Ų13765%0.64577%0.771SS**  trans74.6154.7173-122.65423.200116.6
493E27.2Very low28.8Very low146 Ų146136.3 Ų136.368%0.68277%0.767SS**  cis-134.3-133.43.5-16865.4-79.100110.8
494V28.4Very low28.9Very low122 Ų122137.3 Ų137.374%0.73977%0.765SS**  trans-148.8159.9-169.5-74.30000115.3
495M25Very low28.8Very low155 Ų155139.6 Ų139.676%0.76477%0.767SS**  167.6128.3127.5-86.6-171.285.600109.2
496Q30.2Very low28.7Very low172 Ų172137.4 Ų137.480%0.80476%0.76SS**  76.398.456.6-167.8172.246.600111.4
497G26.3Very low28.5Very low75 Ų75141 Ų14177%0.77377%0.772SS**  125163.578.500000108
498D27.3Very low28.5Very low162 Ų162142.1 Ų142.187%0.86677%0.772SS**  cis-166.4-176.61.6-159.7-5.5000110
499M30Very low28.5Very low171 Ų171140.3 Ų140.384%0.84276%0.761SS**  trans90.2140.7163.9-64.3-174.764.600121.3
500E30.9Very low28.8Very low192 Ų192141 Ų14190%0.89776%0.764SS**  trans-99.8162.6-170.2-55.5157.579.200114.1
501A30.8Very low28.7Very low100 Ų100140.5 Ų140.583%0.82676%0.757SS**  trans-156.7125.9133.500000111.5
502G29.9Very low29.3Very low71 Ų71137.7 Ų137.773%0.73275%0.751SS**  trans-79.3-178.3151.500000110.5
503Q30Very low29.6Very low166 Ų166137.3 Ų137.378%0.77676%0.759SS**  cis-148.7-17714.7-99.2-168.9-95.600110.8
504E30.3Very low30.1Very low131 Ų131136 Ų13661%0.61276%0.763SS**  trans-44.1143.7-179.554.6-93.330.100117.9
505H27.6Very low30.2Very low173 Ų173135.9 Ų135.980%0.80176%0.762SS**  -168.6178.2108.2-111.6-75.6000114.4
506T31.6Very low30.4Very low116 Ų116135.4 Ų135.471%0.71276%0.758SS**  trans-103.3177.3-163.542.90000114.6
507V27.2Very low30.2Very low116 Ų116134.1 Ų134.170%0.70375%0.752SS**  trans89.1120.3164.6-170.90000116.5E509V507-E509 HydrophobicContact CG1-CB 4.09Å
508I31.7Very low30.1Very low165 Ų165136.7 Ų136.785%0.84675%0.753SS**  trans-120.5116.4147.6-66.3179.9000106.7
509E25.7Very low30Very low139 Ų139136.1 Ų136.165%0.6576%0.755SS**  trans-100.5132.6177.7-178-171.2133.400108.6V507 N511V507-E509 HydrophobicContact CG1-CB 4.09Å; E509-N511 PolarHBondContact OE1-ND2 3.01Å
510I34.7Very low29.8Very low164 Ų164131.7 Ų131.784%0.84175%0.753SS**  trans-107.6106.8173.1-59.6-179.5000108.1
511N25.5Very low29.6Very low125 Ų125130.4 Ų130.467%0.66875%0.749SS**  trans-109.5140-174.8-152.7-49.9000110.1E509E509-N511 PolarHBondContact OE1-ND2 3.01Å
512P37.3Very low29.3Very low92 Ų92132.4 Ų132.460%0.59774%0.743SS**  trans-118.9136.5-15737.5-24.1000117.7
513T33.9Very low29.3Very low130 Ų130135.4 Ų135.480%0.79874%0.738SS**  trans65.6147.7159.766.20000118.9
514P37.4Very low29.2Very low118 Ų118135.4 Ų135.477%0.76674%0.742SS**  -135.2167.69714.89.5000112.7
515V30.6Very low29Very low120 Ų120135.9 Ų135.973%0.72775%0.745SS**  cis80.6120.737.11750000112.7
516E29.4Very low29.1Very low146 Ų146136.2 Ų136.268%0.68275%0.751SS**  cis-162175.8-1.6-127.7-172.5103.600114.1
517Q27.1Very low28.9Very low145 Ų145135.5 Ų135.568%0.67876%0.757SS**  trans45.8128.4156.2-60.8171.425.700123
518T23.4Very low28.8Very low129 Ų129137.6 Ų137.679%0.79177%0.765SS**  168.1146.2104.235.80000115.6
519V25.5Very low28.7Very low149 Ų149137.4 Ų137.490%0.90376%0.76SS**  trans27.7125.6147.3-171.90000121.2
520G26Very low29.5Very low78 Ų78136.2 Ų136.280%0.80477%0.765SS**  trans-165.8138.9161.600000113.8
521M26.2Very low29.1Very low166 Ų166131.7 Ų131.782%0.81876%0.758SS**  trans-125.3169.7-179.6179.7-179.5162.300109.9
522M25.2Very low29.3Very low141 Ų141136.5 Ų136.570%0.69577%0.767SS**  trans73.9128.4-175.2-7888.8173.600113.7
523E28.5Very low28.9Very low134 Ų134138.1 Ų138.163%0.62677%0.771SS**  cis83.810548.7-169.6-166.9167.500112.8Q525E523-Q525 PolarHBondContact OE1-NE2 2.92Å
524L27.7Very low28.7Very low166 Ų166136.4 Ų136.487%0.86977%0.769SS**  trans-143.4102.1151.8-72.1178.1000105.8
525Q27.1Very low28.3Very low142 Ų142138.2 Ų138.266%0.66478%0.778SS**  64.812694.5-100.575.369.700115.8E523E523-Q525 PolarHBondContact OE1-NE2 2.92Å
526L28.9Very low28.1Very low179 Ų179137 Ų13794%0.93778%0.781SS**  trans-93.3144.9175.6-69.3159.1000111.4
527A27.7Very low28Very low102 Ų102139.3 Ų139.384%0.84379%0.794SS**  trans-168.3148.7158.700000107.8
528D25.9Very low28.1Very low160 Ų160138.8 Ų138.886%0.85680%0.8SS**  cis-159.9164.6-24.2-170.212.2000106
529E28.2Very low28.3Very low161 Ų161139.4 Ų139.475%0.75280%0.804SS**  trans-75.6-179.8-179.1-87.8-76.611100113
530P42.8Very low28.4Very low114 Ų114141.2 Ų141.274%0.7480%0.803SS**  cis-132.2176.1-13.723.5-0.8000114.7
531G26.3Very low28.5Very low68 Ų68142.9 Ų142.970%0.70180%0.802SS**  137.7115.6129.800000122.3
532R31.1Very low28.6Very low226 Ų226138.4 Ų138.485%0.85380%0.798SS**  trans76.1127.1141.3-76.6-172.5120.2144.48.6123.7
533D28.6Very low28.8Very low127 Ų127139.2 Ų139.268%0.67980%0.804SS**  67.187.1129.4-54.6-20.7000120.8
534A29.1Very low28.6Very low93 Ų93141 Ų14177%0.76981%0.812SS**  47.9119.5124.500000121.5
535T29.6Very low28.6Very low156 Ų156139 Ų13996%0.95781%0.806SS**  -159.9164.8118.17.30000111.1
536A25.9Very low28.6Very low95 Ų95137.8 Ų137.879%0.78581%0.809SS**  trans-104.4149.7-171.900000113.3
537M27.6Very low28.5Very low195 Ų195137.9 Ų137.996%0.96181%0.807SS**  trans-153.6128.6146.1-119.4178.5178.400110.3
538V28.6Very low28.5Very low133 Ų133138.1 Ų138.181%0.80681%0.809SS**PPolyproline II helixtrans-98.8130.2174.6170.30000108.3
539V27.9Very low28.6Very low143 Ų143134.4 Ų134.487%0.86780%0.8SS**PPolyproline II helixtrans-82.8119.3167.11760000108.1
540Q27.4Very low28.7Very low187 Ų187134.5 Ų134.587%0.87481%0.806SS**PPolyproline II helixtrans-88.5129.4-178.7-144172.521.300109.8
541S28.9Very low28.1Very low113 Ų113133 Ų13379%0.7980%0.803SS**  trans-128.9110.5164.3-172.40000107.4
542G28.1Very low28.3Very low72 Ų72138.4 Ų138.474%0.74281%0.81SS**  trans-96.2125.9-175.300000111.6
543I29.5Very low28.3Very low157 Ų157133.8 Ų133.881%0.80580%0.802SS**  trans-129.7107.9161-55.6178.6000105.7
544E24.6Very low28.3Very low171 Ų171132.9 Ų132.980%0.79980%0.802SS**  trans-96.9128.3-176.2-169.4178.2158.500109.9T546E544-T546 HydrophobicContact CG-CG2 4.44Å
545V27.4Very low28.2Very low124 Ų124136.3 Ų136.375%0.75280%0.802SS**  trans-125.6107.9173.21790000107.7
546T26.8Very low27.8Very low117 Ų117133.5 Ų133.572%0.71879%0.787SS**  trans-84.1118.7-178.237.10000111.4E544E544-T546 HydrophobicContact CG-CG2 4.44Å
547M26.4Very low27.8Very low181 Ų181136.5 Ų136.589%0.89279%0.785SS**  trans-91.7142.9162-74.2-75.1-173.400109.2
548A27.3Very low27.7Very low107 Ų107133.9 Ų133.988%0.88477%0.774SS**  trans-135.4138.8168.300000109.1
549A28.8Very low27.6Very low82 Ų82135.7 Ų135.768%0.67877%0.774SS**  trans-140.1-178.2-173.300000111
550D29.4Very low27.7Very low163 Ų163136 Ų13687%0.87277%0.766SS**  trans69.9158.1166-46.6-34.9000115.7
551A30.8Very low27.7Very low82 Ų82132 Ų13268%0.67877%0.765SS**  cis-157164.1-3.800000107.9
552E30.6Very low27.7Very low182 Ų182135.5 Ų135.585%0.8577%0.769SS**  cis-143.8-132.9-12.1-110.5173.4118.400106.4
553D30.2Very low27.7Very low129 Ų129138.4 Ų138.469%0.6977%0.772SS**  cis-160.9171.7-2.1-173.114000108.7
554T28.8Very low27.7Very low109 Ų109140.2 Ų140.267%0.66978%0.777SS**  trans73.8136.4161.462.70000120.5
555Q26.9Very low27.9Very low164 Ų164136.6 Ų136.677%0.76678%0.777SS**  cis-167.9127.5-13.8-179.5171.528.200112.9
556C21.9Very low28.1Very low97 Ų97137.7 Ų137.766%0.65578%0.783SS**  trans63.5161.8153.3-71.40000120.4
557Q25.4Very low28.6Very low158 Ų158141 Ų14174%0.73879%0.791SS**  cis-155.4144.2-5-125.8165.57400113.2
558L26Very low28.9Very low140 Ų140135.8 Ų135.873%0.73378%0.783SS**  trans28.1125.9146.6-62.3170.5000123.1
559Q27.2Very low29.4Very low171 Ų171138.8 Ų138.880%0.79978%0.783SS**  -170.1146.999.9-1698388.200109.8
560E30.3Very low29.9Very low151 Ų151143.6 Ų143.671%0.70679%0.792SS**  trans-95.8155.9-167.9-36.199.3105.200116.8
561A26.7Very low30.3Very low103 Ų103141.6 Ų141.685%0.85178%0.78SS**  trans-155130.6143.500000111.9
562Q29.1Very low31.2Very low186 Ų186141.7 Ų141.787%0.86977%0.77SS**  trans-58.5147.7-173-56.5154.218.200116
563T28.7Very low32.2Very low132 Ų132138.7 Ų138.781%0.8178%0.776SS**  -164.6129.8118.630.30000112.1
564E29.3Very low33.4Very low195 Ų195136.5 Ų136.591%0.91177%0.771SS**  trans36.8135.1150.1-57.2-173.7133.300122
565A28.8Very low34.6Very low96 Ų96134.4 Ų134.479%0.79377%0.77SS**PPolyproline II helixtrans-99.3141.6-175.200000113.5
566V30.3Very low35.5Very low147 Ų147133.6 Ų133.689%0.89177%0.767SS**PPolyproline II helixtrans-103.5125.7162.3-179.60000107.9
567Q38.7Very low36.4Very low186 Ų186135.2 Ų135.287%0.86977%0.768SS**PPolyproline II helixtrans-81.1124.8-175.1-72.1165.2-18.800110.9
568G32.5Very low37.3Very low71 Ų71132.6 Ų132.673%0.73277%0.768SS**PPolyproline II helixtrans-73.7146.6173.600000111.9
569L38.2Very low38.2Very low170 Ų170129.4 Ų129.489%0.8977%0.769SS**PPolyproline II helixtrans-71.8128.6174.1-62.8172.7000109.8
570Q37.8Very low38.8Very low184 Ų184126.5 Ų126.586%0.8676%0.762SS**  trans-113.5131178.9-169161.612.200110.4
571L39.3Very low39Very low120 Ų120127.7 Ų127.763%0.62877%0.768SS**  trans-93.3142.8175.2-71.5166.4000109.9L577L571-L577 HydrophobicContact CD2-CD2 3.58Å; L571-L577 HydrophobicContact CD2-CG 4.05Å
572D49.5Very low39.9Very low85 Ų85129.3 Ų129.346%0.45576%0.76SS.*  trans-95.5167.8168.279.140.7000112.3S574 G575D572-S574 PolarHBondContact O-N 3.17Å; D572-S574 VanDerWaalsContact O-N 3.07Å; D572-S574 WeakPolarHBondContact OD1-CA 3.43Å; D572-S574 VanDerWaalsContact OD1-CB 3.26Å; D572-S574 WeakPolarHBondContact OD1-CB 3.25Å; D572-S574 PolarHBondContact OD1-N 3.01Å; D572-S574 PolarHBondContact OD1-OG 2.77Å; D572-G575 PolarHBondContact O-N 3.04Å
573A49.9Very low40.4Very low118 Ų118125.6 Ų125.698%0.97575%0.751SS**THydrogen-bonded Turntrans-71.75.5-174.900000115.1
574S55.9Low40.9Very low84 Ų84124.8 Ų124.859%0.58775%0.745SS**THydrogen-bonded Turntrans-100.3-9.1172.376.80000113.8D572D572-S574 PolarHBondContact O-N 3.17Å; D572-S574 VanDerWaalsContact O-N 3.07Å; D572-S574 WeakPolarHBondContact OD1-CA 3.43Å; D572-S574 VanDerWaalsContact OD1-CB 3.26Å; D572-S574 WeakPolarHBondContact OD1-CB 3.25Å; D572-S574 PolarHBondContact OD1-N 3.01Å; D572-S574 PolarHBondContact OD1-OG 2.77Å
575G54.9Low41.3Very low64 Ų64122.6 Ų122.666%0.6674%0.738SS**  trans77.314.5175.500000115.6D572D572-G575 PolarHBondContact O-N 3.04Å
576Q44.6Very low41.7Very low147 Ų147126.2 Ų126.269%0.68774%0.739SS**  trans-96.3134.7174.3-62-163.412.700112.5S578Q576-S578 PolarHBondContact O-N 3.43Å; Q576-S578 VanDerWaalsContact O-N 3.16Å
577L42.2Very low41.9Very low131 Ų131127.5 Ų127.569%0.68674%0.735SS**  trans-83.381.9176.4-81.8164.3000111.3L571L571-L577 HydrophobicContact CD2-CD2 3.58Å; L571-L577 HydrophobicContact CD2-CG 4.05Å
578S42.7Very low41.5Very low104 Ų104125 Ų12573%0.72773%0.728SS**THydrogen-bonded Turntrans-77.9121167.863.50000110.5Q576Q576-S578 PolarHBondContact O-N 3.43Å; Q576-S578 VanDerWaalsContact O-N 3.16Å
579G45.3Very low42Very low73 Ų73127.1 Ų127.175%0.75373%0.726SS**THydrogen-bonded Turntrans141.5-6.3176.100000117.3Q581G579-Q581 PolarHBondContact O-N 2.75Å
580V40.7Very low41.9Very low110 Ų110126.5 Ų126.567%0.66772%0.719SS**  trans-80.6104.3178.3-1750000110.9I582V580-I582 HydrophobicContact CG1-CG1 4.03Å; V580-I582 PolarHBondContact O-N 3.07Å; V580-I582 VanDerWaalsContact O-N 3.13Å
581Q35Very low42Very low175 Ų175125.2 Ų125.282%0.81872%0.718SS**  trans-76.195.9168.7-171.7172.127.500109.9G579 V583G579-Q581 PolarHBondContact O-N 2.75Å; Q581-V583 PolarHBondContact O-N 3.47Å; Q581-V583 VanDerWaalsContact O-N 3.11Å
582I44.4Very low41.8Very low137 Ų137125.8 Ų125.870%0.70372%0.722SS**  trans-71.9103.8176.8-57.5176.1000109.1V580 V584V580-I582 HydrophobicContact CG1-CG1 4.03Å; V580-I582 PolarHBondContact O-N 3.07Å; V580-I582 VanDerWaalsContact O-N 3.13Å; I582-V584 HydrophobicContact CG2-CG2 4.27Å; I582-V584 PolarHBondContact O-N 3.25Å
583V39.4Very low41.1Very low109 Ų109128 Ų12866%0.66173%0.733SS**  trans-83.2103.4167.9-179.80000108.4Q581 I585Q581-V583 PolarHBondContact O-N 3.47Å; Q581-V583 VanDerWaalsContact O-N 3.11Å; V583-I585 HydrophobicContact CG1-CG1 4.19Å; V583-I585 PolarHBondContact O-N 3.24Å
584V38.8Very low40.5Very low114 Ų114131.9 Ų131.969%0.69173%0.728SS**  trans-72.7115.9167.3-179.50000107.9I582 E586I582-V584 HydrophobicContact CG2-CG2 4.27Å; I582-V584 PolarHBondContact O-N 3.25Å; V584-E586 HydrophobicContact CG1-CG 4.19Å
585I38.1Very low39.7Very low150 Ų150132.3 Ų132.377%0.76974%0.737SS**  trans-94104.2168.5-58.6178.1000106.6V583V583-I585 HydrophobicContact CG1-CG1 4.19Å; V583-I585 PolarHBondContact O-N 3.24Å
586E37.2Very low38.7Very low172 Ų172142.7 Ų142.780%0.80476%0.764SS**  trans-71.8127.6171.6-65.4-175130.900109.9V584 N588V584-E586 HydrophobicContact CG1-CG 4.19Å; E586-N588 PolarHBondContact O-N 3.49Å
587E33.8Very low38.5Very low174 Ų174142.5 Ų142.581%0.81377%0.768SS**  trans-76.190.7176-170.6178150.700109.6T589E587-T589 HydrophobicContact CG-CG2 4.43Å; E587-T589 PolarHBondContact O-N 3.37Å
588N31.3Very low38.3Very low134 Ų134143.1 Ų143.172%0.71777%0.772SS**  trans-73.287.9178.8-175.532.3000111E586 Q590E586-N588 PolarHBondContact O-N 3.49Å; N588-Q590 PolarHBondContact O-N 3.14Å
589T42.1Very low38Very low114 Ų114145.2 Ų145.270%0.69978%0.775SS**  trans-68.989.7175.254.20000111.1E587E587-T589 HydrophobicContact CG-CG2 4.43Å; E587-T589 PolarHBondContact O-N 3.37Å
590Q36.9Very low37.6Very low157 Ų157149.5 Ų149.573%0.73478%0.776SS**  trans-109.588.4169.6-170.7168.73.200111N588 D592N588-Q590 PolarHBondContact O-N 3.14Å; Q590-D592 PolarHBondContact O-N 3.08Å
591D39.8Very low37.4Very low157 Ų157151.9 Ų151.984%0.8478%0.783SS**  trans-55.2130.4151.5-79.3-65.4000109.3
592D35.3Very low37.5Very low133 Ų133150.4 Ų150.471%0.71178%0.78SS**  -167.7154.4124.3-147.2-12.3000113.3Q590Q590-D592 PolarHBondContact O-N 3.08Å
593N35Very low37.1Very low131 Ų131151.4 Ų151.470%0.70179%0.786SS**  trans64.3135.5166.7-68.9-81.3000117.4
594K36.6Very low36.9Very low199 Ų199154.6 Ų154.687%0.86580%0.796SS**  cis-155.9141.941.6-170.4171.2-176.3170.50113.2
595A39.4Very low36.7Very low94 Ų94158 Ų15878%0.77780%0.804SS**  trans-66.5146.5179.900000114.8
596K35.3Very low36.6Very low281 Ų281158.7 Ų158.7100%1.22281%0.807SS**  trans-153.70133.3-145179.7-176.3-176.60112.4

Retrieved 596 of 596 residues in 234.3 ms (Link to these results)