A0AA82N1V1_SCHMA Loading...

C2H2-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N1V1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 456 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low34.5Very low251 Ų251152.8 Ų152.8100%1.23680%0.795SS**  082.90-77.2174.2138.100108.4
2T33.4Very low34.3Very low129 Ų129150.7 Ų150.779%0.79178%0.778SS**  trans-99.2113.2173.126.40000107.3I4T2-I4 PolarHBondContact O-N 3.43Å; T2-I4 VanDerWaalsContact O-N 3.14Å
3N35.8Very low33.9Very low158 Ų158155.1 Ų155.185%0.84578%0.781SS**  trans-76.596.2-179.2-168.5-5.4000108.2S5N3-S5 PolarHBondContact O-N 3.1Å; N3-S5 VanDerWaalsContact O-N 3.1Å
4I35.9Very low33.7Very low135 Ų135156.6 Ų156.669%0.69278%0.775SS**  trans-79.293.3176.1-55.8172.5000106.9T2 T6T2-I4 PolarHBondContact O-N 3.43Å; T2-I4 VanDerWaalsContact O-N 3.14Å; I4-T6 HydrophobicContact CG2-CG2 3.92Å; I4-T6 PolarHBondContact O-N 3.36Å; I4-T6 VanDerWaalsContact O-N 3.1Å
5S37.3Very low33.3Very low95 Ų95157.4 Ų157.466%0.66477%0.772SS**  trans-73.592.5169.1-168.20000108.3N3 R7N3-S5 PolarHBondContact O-N 3.1Å; N3-S5 VanDerWaalsContact O-N 3.1Å; S5-R7 PolarHBondContact O-N 3.45Å
6T37Very low32.9Very low123 Ų123156.2 Ų156.276%0.75577%0.77SS**  trans-76.677.6169.2550000108.5I4I4-T6 HydrophobicContact CG2-CG2 3.92Å; I4-T6 PolarHBondContact O-N 3.36Å; I4-T6 VanDerWaalsContact O-N 3.1Å
7R31.6Very low32.5Very low188 Ų188155.6 Ų155.671%0.70977%0.77SS**  trans-95.496.9172.9-153.6171.3172.1175.3-7.6107.3S5 E9S5-R7 PolarHBondContact O-N 3.45Å; R7-E9 HydrophobicContact CG-CG 4.26Å; R7-E9 IonicContact CZ-OE1 2.97Å; R7-E9 VanDerWaalsContact CZ-OE1 3.28Å; R7-E9 IonicContact NE-OE1 3.16Å; R7-E9 PolarHBondContact NE-OE1 2.83Å; R7-E9 IonicContact NH2-OE1 2.73Å; R7-E9 PolarHBondContact NH2-OE1 3.23Å; R7-E9 PolarHBondContact O-N 3.3Å
8S34.6Very low32.1Very low122 Ų122153.3 Ų153.385%0.85377%0.771SS**  trans-70.989.6175.7-61.90000109.4
9E32.8Very low31.9Very low109 Ų109150.2 Ų150.251%0.50977%0.772SS.*  trans-130.2114.3172.4-67.1-170.5-152.500107.8R7R7-E9 HydrophobicContact CG-CG 4.26Å; R7-E9 IonicContact CZ-OE1 2.97Å; R7-E9 VanDerWaalsContact CZ-OE1 3.28Å; R7-E9 IonicContact NE-OE1 3.16Å; R7-E9 PolarHBondContact NE-OE1 2.83Å; R7-E9 IonicContact NH2-OE1 2.73Å; R7-E9 PolarHBondContact NH2-OE1 3.23Å; R7-E9 PolarHBondContact O-N 3.3Å
10Y34.8Very low31.8Very low192 Ų192148.7 Ų148.775%0.75377%0.772SS**  trans7186.6162.9-53-78.4000119.5E12Y10-E12 PolarHBondContact O-N 3.16Å; Y10-E12 VanDerWaalsContact O-N 3.13Å
11L32.5Very low31.5Very low179 Ų179147.2 Ų147.294%0.93778%0.775SS**  trans-72.278135.8-95.8160000107.1Y13L11-Y13 PolarHBondContact O-N 3.2Å
12E32.3Very low31.2Very low127 Ų127139.8 Ų139.859%0.59375%0.753SS**  trans-62117.7161.6-93.2-165.1162.900107.9Y10 Y14Y10-E12 PolarHBondContact O-N 3.16Å; Y10-E12 VanDerWaalsContact O-N 3.13Å; E12-Y14 HydrophobicContact CB-CE2 4.25Å; E12-Y14 WeakPolarHBondContact O-CD2 3.42Å; E12-Y14 PolarHBondContact O-N 3.41Å
13Y29Very low30.9Very low208 Ų208143.1 Ų143.182%0.81676%0.76SS**  trans-46.6104.4168.6-96.3-109.2000111L11 F15L11-Y13 PolarHBondContact O-N 3.2Å; Y13-F15 HydrophobicContact CD1-CD2 4.4Å
14Y30.9Very low30.6Very low177 Ų177146.2 Ų146.269%0.69476%0.759SS**  trans-106.771.1159.2-78.7-86.7000109.3E12E12-Y14 HydrophobicContact CB-CE2 4.25Å; E12-Y14 WeakPolarHBondContact O-CD2 3.42Å; E12-Y14 PolarHBondContact O-N 3.41Å
15F27.9Very low30.1Very low168 Ų168146.9 Ų146.974%0.73777%0.77SS**  trans-95.870156.3-92.3-82.8000108.3Y13 L17Y13-F15 HydrophobicContact CD1-CD2 4.4Å; F15-L17 HydrophobicContact CD1-CD1 4.23Å; F15-L17 PolarHBondContact O-N 2.84Å
16N27Very low29.9Very low138 Ų138150.7 Ų150.774%0.73878%0.777SS**  trans-96.183.6165.1-75.1-33.8000108.2
17L26.2Very low29.5Very low147 Ų147149 Ų14977%0.7778%0.776SS**  trans-66.2122.6148.2-78.199000107F15F15-L17 HydrophobicContact CD1-CD1 4.23Å; F15-L17 PolarHBondContact O-N 2.84Å
18S26.3Very low29.4Very low113 Ų113150 Ų15079%0.7979%0.786SS**  trans137.2115.8148.2-63.80000114.4
19A27.4Very low29.5Very low95 Ų95152.2 Ų152.279%0.78579%0.787SS**  trans65.1138.7142.100000120.8
20P29.5Very low29.5Very low119 Ų119152 Ų15277%0.77380%0.798SS**  trans-83.6146.3-171.933.2-32.7000113.6
21S25.1Very low29.4Very low119 Ų119150.9 Ų150.983%0.83281%0.805SS**  trans73.8102.5158.273.20000118.8
22A28.5Very low29.5Very low95 Ų95151.4 Ų151.479%0.78580%0.799SS**  -165.5117.5127.200000109.5R24A22-R24 PolarHBondContact O-N 2.91Å; A22-R24 VanDerWaalsContact O-N 3.09Å
23H26.2Very low29.7Very low199 Ų199154.4 Ų154.492%0.92181%0.814SS**  trans-54.6110.8170.4-75.3-69.3000110.9
24R29.2Very low30.1Very low223 Ų223150.2 Ų150.284%0.84281%0.809SS**  trans-118.1102.6157.3-90.2-169.3-179.7-175.92.8109.5A22 Q26A22-R24 PolarHBondContact O-N 2.91Å; A22-R24 VanDerWaalsContact O-N 3.09Å; R24-Q26 PolarHBondContact O-N 2.73Å
25T26.7Very low30.3Very low148 Ų148146.8 Ų146.891%0.90880%0.803SS**  trans-60.6111158.9-34.90000107.5
26Q31.5Very low30.9Very low175 Ų175144.7 Ų144.782%0.81880%0.804SS**  trans-128.1127.6169.7-143.9164.414.400109.3R24R24-Q26 PolarHBondContact O-N 2.73Å
27A29.5Very low31.5Very low89 Ų89145 Ų14574%0.73681%0.806SS**  trans-66.3145.1-161.200000113.4L29A27-L29 PolarHBondContact O-N 3.27Å
28F30.1Very low32.2Very low208 Ų208144.3 Ų144.391%0.91280%0.803SS**  trans-37.4104.3161.2-92.5-102.7000111.5S30F28-S30 PolarHBondContact O-N 2.94Å
29L35Very low32.6Very low169 Ų169142.8 Ų142.889%0.88580%0.797SS**  trans-83.9105.6156.4-78.7167.7000106.4A27A27-L29 PolarHBondContact O-N 3.27Å
30S33.9Very low33Very low105 Ų105143.3 Ų143.373%0.73479%0.793SS**  trans-53.1137.1175.4-65.80000111.9F28 K32F28-S30 PolarHBondContact O-N 2.94Å; S30-K32 PolarHBondContact O-N 2.94Å
31D33.3Very low33.3Very low167 Ų167143.9 Ų143.989%0.89379%0.794SS**  trans-24.986.5164.3-59.7-45.4000113.8
32K33.4Very low33.6Very low190 Ų190146.7 Ų146.783%0.82679%0.791SS**  trans-92.695.6154.7-118.7-179.5179.7-179.40105.4S30 V34S30-K32 PolarHBondContact O-N 2.94Å; K32-V34 VanDerWaalsContact C-N 3.3Å; K32-V34 WeakPolarHBondContact O-CG2 3.43Å; K32-V34 PolarHBondContact O-N 3.38Å
33E36.6Very low33.6Very low191 Ų191148.1 Ų148.189%0.89379%0.794SS**  trans-52.594.2170.2-163174.2-167.100108.5N35E33-N35 PolarHBondContact O-N 3.05Å
34V37.6Very low33.8Very low120 Ų120146.5 Ų146.573%0.72779%0.791SS**  trans-7596.4175.8179.50000106.3K32 T36K32-V34 VanDerWaalsContact C-N 3.3Å; K32-V34 WeakPolarHBondContact O-CG2 3.43Å; K32-V34 PolarHBondContact O-N 3.38Å; V34-T36 HydrophobicContact CG1-CG2 4.27Å; V34-T36 PolarHBondContact O-N 3.09Å
35N35.9Very low33.9Very low104 Ų104144.9 Ų144.956%0.55679%0.793SS**  trans-65.6102.6170.8179.80.4000109.2E33 N37E33-N35 PolarHBondContact O-N 3.05Å; N35-N37 PolarHBondContact O-N 3.16Å; N35-N37 WeakPolarHBondContact OD1-CB 3.25Å; N35-N37 PolarHBondContact OD1-N 3.12Å
36T40.3Very low33.9Very low125 Ų125148 Ų14877%0.76779%0.788SS**THydrogen-bonded Turntrans-79.45.3-179.849.70000114V34 N38V34-T36 HydrophobicContact CG1-CG2 4.27Å; V34-T36 PolarHBondContact O-N 3.09Å; T36-N38 VanDerWaalsContact C-N 3.32Å; T36-N38 PolarHBondContact O-N 2.85Å
37N40Very low33.8Very low144 Ų144149 Ų14977%0.7779%0.79SS**THydrogen-bonded Turntrans-85.44.9178.6-71.4-53.6000115N35N35-N37 PolarHBondContact O-N 3.16Å; N35-N37 WeakPolarHBondContact OD1-CB 3.25Å; N35-N37 PolarHBondContact OD1-N 3.12Å
38N39.7Very low34Very low133 Ų133149 Ų14971%0.71179%0.785SS**  trans-102.589.7174-72.921.9000109.6T36T36-N38 VanDerWaalsContact C-N 3.32Å; T36-N38 PolarHBondContact O-N 2.85Å
39A35.7Very low34.1Very low80 Ų80148.2 Ų148.266%0.66178%0.783SS**  trans-58.4140.315900000109V41A39-V41 PolarHBondContact O-N 2.98Å; A39-V41 VanDerWaalsContact O-N 3.13Å
40P36.1Very low33.6Very low107 Ų107145.7 Ų145.770%0.69578%0.78SS**  trans-62.9117.4-175.623.5-31.6000110.6F42P40-F42 PolarHBondContact O-N 3.37Å
41V34.2Very low33.4Very low131 Ų131145.7 Ų145.779%0.79478%0.78SS**  trans-77.7101.1170.9-179.60000107.4A39 C43A39-V41 PolarHBondContact O-N 2.98Å; A39-V41 VanDerWaalsContact O-N 3.13Å; V41-C43 PolarHBondContact O-N 3.04Å
42F31.6Very low33Very low178 Ų178149 Ų14978%0.78178%0.78SS**  trans-61.2118.7166.2-70.7-83.6000108.7P40 L44P40-F42 PolarHBondContact O-N 3.37Å; F42-L44 PolarHBondContact O-N 2.64Å
43C28.1Very low33.1Very low124 Ų124148 Ų14884%0.83878%0.783SS**  trans-68.4101.3169.8-760000107.9V41 E45V41-C43 PolarHBondContact O-N 3.04Å; C43-E45 PolarHBondContact O-N 3.07Å; C43-E45 VanDerWaalsContact O-N 3.08Å
44L31.6Very low32.6Very low166 Ų166144.4 Ų144.487%0.86978%0.778SS**  trans-66.1110.3169.3-133.692.7000108F42 R46F42-L44 PolarHBondContact O-N 2.64Å; L44-R46 PolarHBondContact O-N 2.93Å
45E30.9Very low32.6Very low188 Ų188143.9 Ų143.988%0.87978%0.778SS**  trans-60.3121.8175.4-155.2179.7-16100109.1C43 K47C43-E45 PolarHBondContact O-N 3.07Å; C43-E45 VanDerWaalsContact O-N 3.08Å; E45-K47 PolarHBondContact O-N 3.46Å
46R27.8Very low32Very low215 Ų215146 Ų14681%0.81178%0.784SS**  trans-64.9100.2-171.4-171.1-169-70.5148.8-4.5110.6L44 S48L44-R46 PolarHBondContact O-N 2.93Å; R46-S48 PolarHBondContact O-N 2.89Å; R46-S48 VanDerWaalsContact O-N 3.16Å
47K29.3Very low31.5Very low196 Ų196145.4 Ų145.485%0.85279%0.785SS**  trans-81.773.9155.4-95.7167177.2167.70109.2E45 H49E45-K47 PolarHBondContact O-N 3.46Å; K47-H49 PolarHBondContact O-N 2.79Å
48S33.2Very low30.9Very low89 Ų89146.5 Ų146.562%0.62278%0.783SS**  trans-74.7110.4165.845.40000108.8R46 S50R46-S48 PolarHBondContact O-N 2.89Å; R46-S48 VanDerWaalsContact O-N 3.16Å; S48-S50 PolarHBondContact O-N 3.26Å; S48-S50 VanDerWaalsContact O-N 3.13Å
49H30.9Very low30.6Very low190 Ų190151.2 Ų151.288%0.8879%0.791SS**  trans-58.6111.3170.1-71.7-77.9000110K47K47-H49 PolarHBondContact O-N 2.79Å
50S25.8Very low30.3Very low116 Ų116154.1 Ų154.181%0.81180%0.8SS**  trans-70.213117074.10000109.8S48S48-S50 PolarHBondContact O-N 3.26Å; S48-S50 VanDerWaalsContact O-N 3.13Å
51S29.5Very low29.8Very low106 Ų106157 Ų15774%0.74180%0.804SS**  trans-145.1110.5146.364.80000111.3
52R25.6Very low29.9Very low236 Ų236157 Ų15789%0.89181%0.807SS**  trans65.3113.3141.9-59.9-177.2-178.8-153.1-0119.6
53L33.5Very low29.5Very low169 Ų169153.7 Ų153.789%0.88581%0.805SS**  167.397.9115.6-83.3164000107.9
54S26.8Very low29.5Very low115 Ų115153.2 Ų153.280%0.80480%0.803SS**  76.9152106.9-122.30000115.6
55P37.4Very low29Very low110 Ų110148.6 Ų148.671%0.71480%0.795SS**  -123.5173.4-107.133.6-14.5000114.7
56E24.6Very low28.9Very low147 Ų147145.9 Ų145.969%0.68779%0.793SS**  trans88.196.7147.6-148.9158.8-162.900118.4K58E56-K58 IonicContact OE1-NZ 2.79Å; E56-K58 PolarHBondContact OE1-NZ 3.27Å
57S29.7Very low28.8Very low113 Ų113141.5 Ų141.579%0.7980%0.796SS**  trans-148.7106.3138.8-170.80000109.7
58K27Very low28.7Very low167 Ų167135.8 Ų135.873%0.72679%0.792SS**  trans-71.8118.2175.9-67160.7174.5142.80109.3E56E56-K58 IonicContact OE1-NZ 2.79Å; E56-K58 PolarHBondContact OE1-NZ 3.27Å
59R33.4Very low28.4Very low233 Ų233139.2 Ų139.288%0.87980%0.804SS**  trans-144.293.6153.2-72.1-162.9-167.5-175.85.4111.5
60V29.9Very low28.4Very low140 Ų140142 Ų14285%0.84881%0.807SS**  trans29.7113.1136.1-171.90000117.9
61H25.6Very low28.4Very low167 Ų167144.1 Ų144.177%0.77381%0.808SS**  trans-57137.8160.3-79.2-96.4000112.8C63H61-C63 PolarHBondContact O-N 3.25Å
62P36.6Very low28.4Very low132 Ų132145.3 Ų145.386%0.85781%0.811SS**  trans-73.4109.2150.9-5.623.4000108.3
63C22.4Very low28.4Very low109 Ų109141.4 Ų141.474%0.73681%0.808SS**  trans-65.3162163.9-93.90000111.7H61H61-C63 PolarHBondContact O-N 3.25Å
64S27.5Very low28.2Very low114 Ų114138.1 Ų138.180%0.79780%0.799SS**  trans72.1110.414556.30000118.3
65G20.6Very low28.2Very low69 Ų69139.3 Ų139.371%0.71180%0.797SS**  trans-76.2-174.4151.600000112.5
66P29.4Very low27.8Very low130 Ų130141.4 Ų141.484%0.84480%0.802SS**  trans-108.4121.7151.631.3-18.8000110.1
67S25Very low28Very low123 Ų123141.7 Ų141.786%0.8681%0.807SS**  trans-57.8134.2150.346.20000110.5
68G29.1Very low28Very low76 Ų76144.4 Ų144.478%0.78481%0.812SS**  trans-156.688.7174.500000110.8
69D25.3Very low28Very low161 Ų161142.5 Ų142.586%0.86181%0.81SS**  trans-56.1130.9166.1-69.6-54.1000111.6
70R30.7Very low28Very low248 Ų248138.7 Ų138.794%0.93681%0.805SS**  trans-165.9112.8138.6-111.4173.6-172.1-160.31.9112.5
71L26Very low27.9Very low161 Ų161138.9 Ų138.984%0.84380%0.801SS**  trans-40.5129.7151.5-64.7142000111.6
72T30.6Very low28Very low132 Ų132141.5 Ų141.581%0.8180%0.804SS**  165.2111.512238.50000110.6
73N25Very low27.6Very low154 Ų154140.1 Ų140.182%0.82480%0.795SS**  33.5104.9124-153.522.3000118.3
74S29.3Very low27.7Very low100 Ų100145.9 Ų145.970%0.69980%0.801SS**  160.8119121.963.90000110.8
75N27.9Very low27.9Very low140 Ų140146.7 Ų146.775%0.74980%0.802SS**  trans41.2117.5141.5-56.8-16.7000119.6
76N27.2Very low28.3Very low154 Ų154147.8 Ų147.882%0.82480%0.798SS**  trans59.493143.9-60.6-23.1000117
77L30.8Very low28.2Very low152 Ų152148.3 Ų148.380%0.79679%0.794SS**  trans-148.991.8139.2-104.8166.9000109.2N79L77-N79 HydrophobicContact CD2-CB 4.46Å; L77-N79 PolarHBondContact O-N 2.79Å
78L29Very low28.1Very low170 Ų170151.2 Ų151.289%0.8979%0.786SS**  trans-63.783.3160.7-161.6143000106.8
79N27.3Very low28Very low128 Ų128152.6 Ų152.668%0.68478%0.781SS**  trans-171.260.6171-93.9-22.1000110.5L77 L81L77-N79 HydrophobicContact CD2-CB 4.46Å; L77-N79 PolarHBondContact O-N 2.79Å; N79-L81 PolarHBondContact O-N 2.85Å
80I33Very low28.1Very low153 Ų153150.4 Ų150.479%0.78577%0.766SS**  trans-85.982.2153.6-59.8-179.8000106.6W82I80-W82 PolarHBondContact O-N 3.16Å; I80-W82 VanDerWaalsContact O-N 3.12Å
81L28.6Very low28.2Very low143 Ų143147.6 Ų147.675%0.74976%0.76SS**  trans-42.7100.6161.7-169.776.4000110.1N79N79-L81 PolarHBondContact O-N 2.85Å
82W27.5Very low28.2Very low223 Ų223147.8 Ų147.885%0.84576%0.757SS**  trans-78.4142.1156.7-75.184.6000108.6I80 R84I80-W82 PolarHBondContact O-N 3.16Å; I80-W82 VanDerWaalsContact O-N 3.12Å; W82-R84 PolarHBondContact O-N 3.48Å
83P27.9Very low28.3Very low103 Ų103145 Ų14567%0.66975%0.747SS**  trans-73.1126.1-152.2-16.131.1000112.5T85P83-T85 PolarHBondContact O-N 3.28Å
84R23.3Very low28.5Very low230 Ų230143.8 Ų143.887%0.86875%0.745SS**  trans-57.196.6161-176.3-178.4-173.5171.31.7109.7W82W82-R84 PolarHBondContact O-N 3.48Å
85T32.2Very low28.8Very low131 Ų131146.6 Ų146.680%0.80475%0.752SS**  trans-91.287.4152.553.40000105.9P83P83-T85 PolarHBondContact O-N 3.28Å
86S29.4Very low28.9Very low91 Ų91150.2 Ų150.264%0.63676%0.755SS**  56.893.998.7-156.70000111.8
87D27.8Very low28.9Very low141 Ų141149.9 Ų149.975%0.75475%0.753SS**  trans50.6113.3140.5-53.8-34.8000120.2
88R22Very low28.9Very low184 Ų184148.4 Ų148.469%0.69476%0.755SS**  24.8136.7125.5-121.1-167.7170.1167.2-4.4116.7E90R88-E90 HydrophobicContact CG-CG 4.42Å; R88-E90 VanDerWaalsContact CZ-CD 3.47Å; R88-E90 IonicContact CZ-OE1 3.37Å; R88-E90 VanDerWaalsContact CZ-OE1 3.26Å; R88-E90 IonicContact CZ-OE2 3.83Å; R88-E90 IonicContact NE-OE1 3.19Å; R88-E90 PolarHBondContact NE-OE1 3.38Å; R88-E90 IonicContact NE-OE2 3.17Å; R88-E90 PolarHBondContact NE-OE2 3.45Å; R88-E90 IonicContact NH2-OE1 2.78Å; R88-E90 PolarHBondContact NH2-OE1 3.19Å; R88-E90 IonicContact NH2-OE2 3.05Å; R88-E90 PolarHBondContact NH2-OE2 3.14Å
89P27.4Very low29.1Very low105 Ų105145.3 Ų145.368%0.68275%0.748SS**  -127.6144.267.123.8-6.5000113.9F91P89-F91 PolarHBondContact O-N 2.73Å
90E28.1Very low29.6Very low115 Ų115144.9 Ų144.954%0.53775%0.752SS.*  trans-51.6115.4158-72.2158.6179.800109.1R88R88-E90 HydrophobicContact CG-CG 4.42Å; R88-E90 VanDerWaalsContact CZ-CD 3.47Å; R88-E90 IonicContact CZ-OE1 3.37Å; R88-E90 VanDerWaalsContact CZ-OE1 3.26Å; R88-E90 IonicContact CZ-OE2 3.83Å; R88-E90 IonicContact NE-OE1 3.19Å; R88-E90 PolarHBondContact NE-OE1 3.38Å; R88-E90 IonicContact NE-OE2 3.17Å; R88-E90 PolarHBondContact NE-OE2 3.45Å; R88-E90 IonicContact NH2-OE1 2.78Å; R88-E90 PolarHBondContact NH2-OE1 3.19Å; R88-E90 IonicContact NH2-OE2 3.05Å; R88-E90 PolarHBondContact NH2-OE2 3.14Å
91F32.1Very low29.5Very low189 Ų189142.5 Ų142.583%0.82975%0.749SS**  trans-96.588.5146.5-86.5-86.7000106.7P89 A93P89-F91 PolarHBondContact O-N 2.73Å; F91-A93 PolarHBondContact O-N 3.45Å
92E26.2Very low29.6Very low166 Ų166143.8 Ų143.878%0.77676%0.756SS**  trans-6075.9151.7-72.8-173.7147.300108.4V94E92-V94 VanDerWaalsContact C-N 3.26Å; E92-V94 PolarHBondContact O-N 2.9Å; E92-V94 VanDerWaalsContact O-N 3.15Å
93A31.3Very low29.8Very low72 Ų72137.2 Ų137.260%0.59574%0.744SS**  trans-8383.416300000107.3F91 L95F91-A93 PolarHBondContact O-N 3.45Å; A93-L95 PolarHBondContact O-N 3.21Å
94V30.2Very low30.1Very low130 Ų130141.9 Ų141.979%0.78875%0.754SS**  trans-58.982.3156.8178.10000107.4E92E92-V94 VanDerWaalsContact C-N 3.26Å; E92-V94 PolarHBondContact O-N 2.9Å; E92-V94 VanDerWaalsContact O-N 3.15Å
95L35.7Very low30.7Very low159 Ų159138.6 Ų138.683%0.83275%0.753SS**  trans-107.787.9167.4-88.8161.9000108.2A93A93-L95 PolarHBondContact O-N 3.21Å
96R29.4Very low30.7Very low216 Ų216137.7 Ų137.782%0.81575%0.752SS**  trans-6.6126.9153.2-76.8179.2174.2-173.7-1.4115.3
97N27.3Very low30.9Very low146 Ų146139.2 Ų139.278%0.78176%0.757SS**  38.496.8128.2-59.6-1000116.2
98S31Very low30.9Very low121 Ų121142.4 Ų142.485%0.84676%0.76SS**  trans-138.273.2144.2-68.80000107.4
99S33.9Very low31.5Very low106 Ų106139.1 Ų139.174%0.74176%0.763SS**  trans-57.3131160.8-59.20000107.5S101S99-S101 PolarHBondContact O-N 2.89Å
100P36.6Very low31.9Very low119 Ų119139.5 Ų139.577%0.77377%0.768SS**  trans-66.1110.1179.526.3-30.7000108.4L102P100-L102 PolarHBondContact O-N 3.32Å; P100-L102 VanDerWaalsContact O-N 3.08Å
101S30.8Very low32Very low102 Ų102142.1 Ų142.171%0.71379%0.786SS**  trans-60.7108164.7173.70000107.8S99 S103S99-S101 PolarHBondContact O-N 2.89Å; S101-S103 PolarHBondContact O-N 2.96Å
102L31.9Very low32.3Very low171 Ų171138.3 Ų138.390%0.89578%0.782SS**  trans-70.774.1168.1-80.1159.7000108.8P100 F104P100-L102 PolarHBondContact O-N 3.32Å; P100-L102 VanDerWaalsContact O-N 3.08Å; L102-F104 PolarHBondContact O-N 2.88Å
103S30.7Very low32.4Very low85 Ų85140.3 Ų140.359%0.59479%0.789SS**  trans-92.873.3169.260.70000110.1S101S101-S103 PolarHBondContact O-N 2.96Å
104F35Very low32.8Very low200 Ų200143 Ų14388%0.87780%0.798SS**  trans-141.657.3160-74-76.5000109.6L102L102-F104 PolarHBondContact O-N 2.88Å
105L35.7Very low32.9Very low162 Ų162146 Ų14685%0.84880%0.803SS**  trans-95.194.1149.9-124.977.7000106.2T107L105-T107 VanDerWaalsContact C-N 3.25Å; L105-T107 PolarHBondContact O-N 2.87Å
106S31.7Very low32.7Very low112 Ų112144.1 Ų144.178%0.78380%0.803SS**  trans-67.283.9172.4173.90000108.7
107T33.7Very low32.9Very low122 Ų122139.2 Ų139.275%0.74880%0.8SS**  trans-78.2125.2166.1-45.60000107.9L105L105-T107 VanDerWaalsContact C-N 3.25Å; L105-T107 PolarHBondContact O-N 2.87Å
108Y28.6Very low33Very low208 Ų208138.6 Ų138.682%0.81680%0.797SS**  trans-43.2138.1-179.7-84.4-101.8000113.2S110Y108-S110 PolarHBondContact O-N 3.13Å
109P33.4Very low33.3Very low116 Ų116138.5 Ų138.575%0.75379%0.794SS**  trans-73.8119.818029.6-30.5000109.6D111P109-D111 PolarHBondContact O-N 2.96Å
110S36.3Very low33.2Very low113 Ų113142.4 Ų142.479%0.7980%0.798SS**  trans-72.7119.7163.8-63.30000109.2Y108 S112Y108-S110 PolarHBondContact O-N 3.13Å; S110-S112 PolarHBondContact O-N 3.49Å; S110-S112 VanDerWaalsContact O-N 3.12Å
111D30Very low33.1Very low170 Ų170140.8 Ų140.891%0.90979%0.789SS**  trans-49.7110.5171.6-70.7-52.6000111.6P109P109-D111 PolarHBondContact O-N 2.96Å
112S39.7Very low33.3Very low108 Ų108145.6 Ų145.676%0.75579%0.793SS**  trans-138.6108155.551.60000109.3S110 T114S110-S112 PolarHBondContact O-N 3.49Å; S110-S112 VanDerWaalsContact O-N 3.12Å; S112-T114 PolarHBondContact O-N 3.43Å
113K28.2Very low33.3Very low208 Ų208144.3 Ų144.390%0.90479%0.786SS**  trans-64.5112.7167.4-73.5171.7174.71730109
114T38.7Very low33.3Very low128 Ų128147.4 Ų147.479%0.78580%0.796SS**  trans-157.2117.1146.926.60000110.9S112S112-T114 PolarHBondContact O-N 3.43Å
115H33.3Very low33.1Very low193 Ų193141.8 Ų141.889%0.89479%0.787SS**  trans-19.7135.3161.8-65.7-89.9000117.9
116S31.6Very low33.1Very low121 Ų121139.7 Ų139.785%0.84679%0.786SS**  173.7148.9108.8-175.80000112.1
117C32.5Very low33.2Very low112 Ų112143.3 Ų143.376%0.75779%0.79SS**  trans-70.4153.3-161.9-55.40000118.2
118D29.1Very low33.2Very low134 Ų134142.1 Ų142.172%0.71779%0.787SS**  trans43.8119.6142.5-82.8-40.7000121.7
119P37.6Very low33.7Very low119 Ų119139.2 Ų139.277%0.77378%0.784SS**  trans-102.689145.733.8-21.8000110
120K32Very low33.8Very low188 Ų188144.3 Ų144.382%0.81779%0.788SS**  trans-101.596.9153.7-98.9173178.8166.60107.5
121S34.1Very low33.7Very low85 Ų85145.2 Ų145.259%0.59478%0.784SS**  trans-154.2105.1172.143.20000111.8
122Y36.4Very low34.7Very low202 Ų202142.6 Ų142.679%0.79278%0.777SS**  trans64.1105.8144.3-51.5-72.7000117.8
123L31.8Very low34.8Very low144 Ų144143.7 Ų143.775%0.75477%0.774SS**  60.7110.183.6-75.4172.4000113.6
124N30.1Very low35.7Very low150 Ų150140.7 Ų140.780%0.80277%0.773SS**  trans135.6102.5139.7-70.5-30.6000110.1
125A31Very low36.2Very low83 Ų83138.7 Ų138.769%0.68677%0.77SS**  103.1105.178.300000108.3
126S36.1Very low37.1Very low118 Ų118136.1 Ų136.183%0.82576%0.763SS**  169.9109.5121.6-73.60000108S128S126-S128 PolarHBondContact O-N 3.12Å
127Q31.9Very low38.1Very low187 Ų187136.1 Ų136.187%0.87476%0.763SS**  trans-48.4116.8158.5-69.3163.5-26.300108.7
128S34.7Very low39.3Very low98 Ų98140.2 Ų140.269%0.68577%0.768SS**  trans-108.796.81491790000105.6S126 R130S126-S128 PolarHBondContact O-N 3.12Å; S128-R130 PolarHBondContact O-N 3Å
129I39.3Very low40.8Very low147 Ų147136.9 Ų136.975%0.75476%0.755SS**  trans-5692.8156.5-64.3166.1000104.6
130R36Very low42.4Very low222 Ų222137.4 Ų137.484%0.83875%0.747SS**  trans-101.1110175.9-157.5177.5-172.7-177.92.4106.6S128S128-R130 PolarHBondContact O-N 3Å
131D33.9Very low44.5Very low132 Ų132131.9 Ų131.971%0.70674%0.736SS**  trans-41123.8-179.3-65-63.8000112.7N133D131-N133 PolarHBondContact O-N 3.07Å
132P50.7Low46.8Very low116 Ų116134.1 Ų134.175%0.75374%0.737SS**SBendtrans-84.251178.236.4-35.3000109.9
133N42.6Very low49.4Very low130 Ų130126.2 Ų126.270%0.69572%0.717SS**  trans-150.455.7-172.6-78.6-48000113.5D131D131-N133 PolarHBondContact O-N 3.07Å
134T45.9Very low52.3Low145 Ų145124 Ų12489%0.8970%0.703SS**SBendtrans-176.2140.2144.910.30000110.7
135A49.4Very low55.3Low87 Ų87119.6 Ų119.672%0.71969%0.687SS**SBendtrans74.773.9173.700000116.6
136N51.9Low58.3Low138 Ų138117.3 Ų117.374%0.73866%0.662SS**  trans-166.816.6139.8-92-21000114.4K138 S139N136-K138 VanDerWaalsContact C-N 3.3Å; N136-K138 PolarHBondContact O-N 3.28Å; N136-S139 PolarHBondContact O-OG 2.9Å; N136-S139 VanDerWaalsContact O-OG 3.05Å
137S52.7Low61.1Low121 Ų121118.3 Ų118.385%0.84665%0.654SS**THydrogen-bonded Turntrans-76.3-15.2176.553.40000113.9
138K57.9Low64Low199 Ų199113.6 Ų113.687%0.86563%0.633SS**THydrogen-bonded Turntrans-86-1.5-179.4-156.3161.5-178.5174.70113.9N136N136-K138 VanDerWaalsContact C-N 3.3Å; N136-K138 PolarHBondContact O-N 3.28Å
139S61.1Low66.9Low63 Ų63116.1 Ų116.144%0.44163%0.628SS.*SBendtrans-104.8-20.5-174.760.40000115.2N136 G143N136-S139 PolarHBondContact O-OG 2.9Å; N136-S139 VanDerWaalsContact O-OG 3.05Å; S139-G143 PolarHBondContact O-N 2.84Å
140H71.6Confident69.5Low130 Ų130116.5 Ų116.560%0.60262%0.62SS**Hα-helixtrans-71.4-49.1-175.8-168.361000112.9H142 G143 Q144H140-H142 PolarHBondContact O-N 3.2Å; H140-G143 PolarHBondContact O-N 3.05Å; H140-Q144 PolarHBondContact NE2-NE2 3.29Å; H140-Q144 WeakPolarHBondContact O-CG 3.48Å; H140-Q144 PolarHBondContact O-N 3.38Å
141A74.8Confident72.3Confident72 Ų72108.7 Ų108.760%0.59560%0.599SS**Hα-helixtrans-65.8-38.4177.800000112.3Q144 A145A141-Q144 PolarHBondContact O-N 3.27Å; A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 3.19Å
142H83Confident75.2Confident133 Ų133110.6 Ų110.662%0.61660%0.596SS**Hα-helixtrans-66.1-39.5173.9-175.358.2000111.5H140 A145 E146H140-H142 PolarHBondContact O-N 3.2Å; H142-A145 PolarHBondContact O-N 2.79Å; H142-E146 WeakPolarHBondContact O-CB 2.94Å; H142-E146 PolarHBondContact O-N 3.29Å
143G90.9Very high77.3Confident36 Ų36108.6 Ų108.637%0.37158%0.577SS.*Hα-helixtrans-62-41.5173.900000112.7S139 H140 Q147S139-G143 PolarHBondContact O-N 2.84Å; H140-G143 PolarHBondContact O-N 3.05Å; G143-Q147 VanDerWaalsContact O-CB 3.27Å; G143-Q147 WeakPolarHBondContact O-CB 3.42Å; G143-Q147 PolarHBondContact O-N 3.27Å
144Q93.3Very high79.6Confident98 Ų98105.4 Ų105.446%0.45857%0.565SS.*Hα-helixtrans-65.5-47.9174.8-72.8-173.9-9.300112H140 A141 E146 Q147 I148H140-Q144 PolarHBondContact NE2-NE2 3.29Å; H140-Q144 WeakPolarHBondContact O-CG 3.48Å; H140-Q144 PolarHBondContact O-N 3.38Å; A141-Q144 PolarHBondContact O-N 3.27Å; Q144-E146 VanDerWaalsContact C-N 3.3Å; Q144-E146 PolarHBondContact O-N 2.89Å; Q144-Q147 PolarHBondContact O-N 3.46Å; Q144-I148 VanDerWaalsContact O-CG1 3.3Å; Q144-I148 WeakPolarHBondContact O-CG1 3.33Å; Q144-I148 PolarHBondContact O-N 3.16Å
145A92.5Very high81.9Confident57 Ų57104.1 Ų104.147%0.47155%0.552SS.*Hα-helixtrans-60.6-41.4177.200000111.8A141 H142 I148 R149A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 3.19Å; H142-A145 PolarHBondContact O-N 2.79Å; A145-I148 PolarHBondContact O-N 3.31Å; A145-R149 WeakPolarHBondContact O-CB 3.46Å; A145-R149 PolarHBondContact O-N 2.85Å
146E94.4Very high84Confident35 Ų35103.6 Ų103.616%0.16454%0.54CS..Hα-helixtrans-65.9-39.4175.5177.160.1-170.800112.2H142 Q144 R149 R150H142-E146 WeakPolarHBondContact O-CB 2.94Å; H142-E146 PolarHBondContact O-N 3.29Å; Q144-E146 VanDerWaalsContact C-N 3.3Å; Q144-E146 PolarHBondContact O-N 2.89Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 3.1Å; E146-R149 IonicContact OE1-CZ 3.91Å; E146-R149 IonicContact OE1-NE 2.68Å; E146-R149 IonicContact OE1-NH2 3.28Å; E146-R149 PolarHBondContact OE1-NH2 3.33Å; E146-R149 IonicContact OE2-CZ 2.65Å; E146-R149 IonicContact OE2-NE 3.2Å; E146-R149 PolarHBondContact OE2-NE 3.45Å; E146-R149 IonicContact OE2-NH2 3.81Å; E146-R149 PolarHBondContact OE2-NH2 3.26Å; E146-R150 WeakPolarHBondContact O-CG 3.25Å; E146-R150 PolarHBondContact O-N 3.42Å; E146-R150 IonicContact OE1-CZ 3.07Å; E146-R150 IonicContact OE1-NE 3.26Å; E146-R150 PolarHBondContact OE1-NE 3.47Å; E146-R150 IonicContact OE1-NH2 2.7Å; E146-R150 PolarHBondContact OE1-NH2 2.8Å
147Q94.5Very high85.9Confident139 Ų13998.5 Ų98.565%0.6551%0.511SS*.Hα-helixtrans-64.8-42.6175.7-174.5175.211.600111.4G143 Q144 R149 R150 S151G143-Q147 VanDerWaalsContact O-CB 3.27Å; G143-Q147 WeakPolarHBondContact O-CB 3.42Å; G143-Q147 PolarHBondContact O-N 3.27Å; Q144-Q147 PolarHBondContact O-N 3.46Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R150 PolarHBondContact O-N 2.86Å; Q147-S151 WeakPolarHBondContact O-CB 3.34Å; Q147-S151 PolarHBondContact O-N 3.26Å; Q147-S151 PolarHBondContact O-OG 2.49Å
148I94.1Very high87.7Confident87 Ų8796.3 Ų96.345%0.44650%0.495SS..Hα-helixtrans-63.5-40.9174.4-66.5164.6000110.6Q144 A145 S151 R152Q144-I148 VanDerWaalsContact O-CG1 3.3Å; Q144-I148 WeakPolarHBondContact O-CG1 3.33Å; Q144-I148 PolarHBondContact O-N 3.16Å; A145-I148 PolarHBondContact O-N 3.31Å; I148-S151 WeakPolarHBondContact CA-OG 3.32Å; I148-S151 PolarHBondContact O-N 3.26Å; I148-S151 PolarHBondContact O-OG 2.92Å; I148-R152 HydrophobicContact CG2-CG 4.44Å; I148-R152 WeakPolarHBondContact O-CB 3.45Å; I148-R152 WeakPolarHBondContact O-CG 3.49Å; I148-R152 PolarHBondContact O-N 2.95Å
149R95.2Very high89.4Confident152 Ų15291.3 Ų91.357%0.57448%0.478SS*.Hα-helixtrans-59.8-47.7175.6-172.7178.171.41262.5111.3A145 E146 Q147 E153A145-R149 WeakPolarHBondContact O-CB 3.46Å; A145-R149 PolarHBondContact O-N 2.85Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 3.1Å; E146-R149 IonicContact OE1-CZ 3.91Å; E146-R149 IonicContact OE1-NE 2.68Å; E146-R149 IonicContact OE1-NH2 3.28Å; E146-R149 PolarHBondContact OE1-NH2 3.33Å; E146-R149 IonicContact OE2-CZ 2.65Å; E146-R149 IonicContact OE2-NE 3.2Å; E146-R149 PolarHBondContact OE2-NE 3.45Å; E146-R149 IonicContact OE2-NH2 3.81Å; E146-R149 PolarHBondContact OE2-NH2 3.26Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; R149-E153 WeakPolarHBondContact O-CB 3.16Å; R149-E153 PolarHBondContact O-N 2.98Å
150R93.2Very high90.9Very high155 Ų15589.7 Ų89.759%0.58546%0.464SS*.Hα-helixtrans-66.2-37.6178.2-70.9178.3-174-146.91.2113E146 Q147 S154E146-R150 WeakPolarHBondContact O-CG 3.25Å; E146-R150 PolarHBondContact O-N 3.42Å; E146-R150 IonicContact OE1-CZ 3.07Å; E146-R150 IonicContact OE1-NE 3.26Å; E146-R150 PolarHBondContact OE1-NE 3.47Å; E146-R150 IonicContact OE1-NH2 2.7Å; E146-R150 PolarHBondContact OE1-NH2 2.8Å; Q147-R150 PolarHBondContact O-N 2.86Å; R150-S154 WeakPolarHBondContact O-CB 3.18Å; R150-S154 PolarHBondContact O-N 3.03Å
151S94.7Very high91.8Very high57 Ų5786.2 Ų86.240%0.39945%0.45SS..Hα-helixtrans-67.9-45.317868.30000111.2Q147 I148 S154 I155Q147-S151 WeakPolarHBondContact O-CB 3.34Å; Q147-S151 PolarHBondContact O-N 3.26Å; Q147-S151 PolarHBondContact O-OG 2.49Å; I148-S151 WeakPolarHBondContact CA-OG 3.32Å; I148-S151 PolarHBondContact O-N 3.26Å; I148-S151 PolarHBondContact O-OG 2.92Å; S151-S154 WeakPolarHBondContact O-CB 3.09Å; S151-S154 PolarHBondContact O-N 3.27Å; S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.41Å
152R95.8Very high92.5Very high172 Ų17285.3 Ų85.365%0.64944%0.439SS*.Hα-helixtrans-58.7-48.4173.6-73.6178.7172.7-171.9-4.3111.6I148 S154 I155 T156I148-R152 HydrophobicContact CG2-CG 4.44Å; I148-R152 WeakPolarHBondContact O-CB 3.45Å; I148-R152 WeakPolarHBondContact O-CG 3.49Å; I148-R152 PolarHBondContact O-N 2.95Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 2.9Å; R152-I155 PolarHBondContact O-N 3.39Å; R152-T156 PolarHBondContact O-N 3.43Å; R152-T156 PolarHBondContact O-OG1 2.89Å; R152-T156 VanDerWaalsContact O-OG1 3.1Å
153E93.4Very high92.9Very high75 Ų7584 Ų8435%0.3543%0.433SS..Hα-helixtrans-58.3-42.8176.6-163.5-157.6152.700111.4R149 I155 T156 F157 K194R149-E153 WeakPolarHBondContact O-CB 3.16Å; R149-E153 PolarHBondContact O-N 2.98Å; E153-I155 PolarHBondContact O-N 3.47Å; E153-T156 PolarHBondContact O-N 3.25Å; E153-F157 HydrophobicContact CG-CD2 3.79Å; E153-F157 HydrophobicContact CG-CE2 3.64Å; E153-F157 WeakPolarHBondContact O-CD2 3.49Å; E153-F157 PolarHBondContact O-N 2.97Å; E153-F157 VanDerWaalsContact OE1-CE2 3.3Å; E153-F157 WeakPolarHBondContact OE1-CE2 3.31Å; E153-K194 IonicContact OE1-NZ 3.08Å; E153-K194 PolarHBondContact OE1-NZ 3.34Å; E153-K194 IonicContact OE2-NZ 2.75Å
154S92.1Very high92.9Very high63 Ų6382.5 Ų82.544%0.44142%0.416SS..Hα-helixtrans-61.2-44.3176.5-168.10000112.1R150 S151 R152 F157 S158R150-S154 WeakPolarHBondContact O-CB 3.18Å; R150-S154 PolarHBondContact O-N 3.03Å; S151-S154 WeakPolarHBondContact O-CB 3.09Å; S151-S154 PolarHBondContact O-N 3.27Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 2.9Å; S154-F157 PolarHBondContact O-N 2.75Å; S154-S158 WeakPolarHBondContact O-CB 3.27Å; S154-S158 PolarHBondContact O-N 3.3Å; S154-S158 PolarHBondContact O-OG 2.8Å; S154-S158 VanDerWaalsContact O-OG 3.14Å
155I94.1Very high92.7Very high118 Ų11880.5 Ų80.561%0.60541%0.413SS*.Hα-helixtrans-61.5-47.2177.6-67.5163.9000110.1S151 R152 E153 F157 S158 L159S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.41Å; R152-I155 PolarHBondContact O-N 3.39Å; E153-I155 PolarHBondContact O-N 3.47Å; I155-F157 VanDerWaalsContact C-N 3.35Å; I155-F157 PolarHBondContact O-N 2.86Å; I155-S158 PolarHBondContact O-N 3.09Å; I155-L159 PolarHBondContact O-N 3.26Å
156T92.4Very high92.5Very high76 Ų7682.5 Ų82.547%0.46642%0.415SS..Hα-helixtrans-59.5-44.7177.9-55.70000111.6R152 E153 L159 I160R152-T156 PolarHBondContact O-N 3.43Å; R152-T156 PolarHBondContact O-OG1 2.89Å; R152-T156 VanDerWaalsContact O-OG1 3.1Å; E153-T156 PolarHBondContact O-N 3.25Å; T156-L159 PolarHBondContact O-N 3.08Å; T156-I160 HydrophobicContact CG2-CD1 4.03Å; T156-I160 VanDerWaalsContact O-CG1 3.31Å; T156-I160 WeakPolarHBondContact O-CG1 3.43Å; T156-I160 PolarHBondContact O-N 3.49Å
157F92.2Very high92.2Very high31 Ų3185.3 Ų85.314%0.13644%0.436CS..Hα-helixtrans-68.5-36178.3-84.2-67.1000113.3E153 S154 I155 L159 I160 D161 K194 L198E153-F157 HydrophobicContact CG-CD2 3.79Å; E153-F157 HydrophobicContact CG-CE2 3.64Å; E153-F157 WeakPolarHBondContact O-CD2 3.49Å; E153-F157 PolarHBondContact O-N 2.97Å; E153-F157 VanDerWaalsContact OE1-CE2 3.3Å; E153-F157 WeakPolarHBondContact OE1-CE2 3.31Å; S154-F157 PolarHBondContact O-N 2.75Å; I155-F157 VanDerWaalsContact C-N 3.35Å; I155-F157 PolarHBondContact O-N 2.86Å; F157-L159 VanDerWaalsContact C-N 3.33Å; F157-I160 HydrophobicContact CD1-CD1 4.31Å; F157-I160 HydrophobicContact CE1-CD1 4.48Å; F157-I160 PolarHBondContact O-N 2.86Å; F157-D161 VanDerWaalsContact O-CB 3.28Å; F157-D161 WeakPolarHBondContact O-CB 3.5Å; F157-D161 PolarHBondContact O-N 3.27Å; F157-K194 HydrophobicContact CD1-CB 4.02Å; F157-K194 HydrophobicContact CD1-CD 4.45Å; F157-K194 HydrophobicContact CD1-CG 3.8Å; F157-K194 HydrophobicContact CD2-CD 3.61Å; F157-K194 VanDerWaalsContact CD2-CE 3.45Å; F157-K194 HydrophobicContact CD2-CG 3.87Å; F157-K194 HydrophobicContact CE1-CB 3.64Å; F157-K194 HydrophobicContact CE1-CD 4.41Å; F157-K194 HydrophobicContact CE1-CG 3.89Å; F157-K194 HydrophobicContact CE2-CB 4.24Å; F157-K194 HydrophobicContact CE2-CD 3.59Å; F157-K194 HydrophobicContact CE2-CG 3.98Å; F157-K194 HydrophobicContact CG-CB 4.48Å; F157-K194 HydrophobicContact CG-CD 4.08Å; F157-K194 HydrophobicContact CG-CG 3.8Å; F157-K194 HydrophobicContact CZ-CB 3.77Å; F157-K194 HydrophobicContact CZ-CD 4.01Å; F157-K194 HydrophobicContact CZ-CG 3.98Å; F157-L198 HydrophobicContact CE1-CD1 4.24Å; F157-L198 HydrophobicContact CE1-CD2 4.01Å; F157-L198 HydrophobicContact CE1-CG 3.83Å; F157-L198 HydrophobicContact CZ-CD1 4Å; F157-L198 HydrophobicContact CZ-CD2 4.24Å; F157-L198 HydrophobicContact CZ-CG 4.08Å
158S90.8Very high91.8Very high74 Ų7483 Ų8352%0.51743%0.433SS..Hα-helixtrans-63-40.6172.3-69.50000111.6S154 I155 D161 S162S154-S158 WeakPolarHBondContact O-CB 3.27Å; S154-S158 PolarHBondContact O-N 3.3Å; S154-S158 PolarHBondContact O-OG 2.8Å; S154-S158 VanDerWaalsContact O-OG 3.14Å; I155-S158 PolarHBondContact O-N 3.09Å; S158-D161 PolarHBondContact O-N 3.3Å; S158-S162 WeakPolarHBondContact O-CB 3.24Å; S158-S162 PolarHBondContact O-N 3.13Å; S158-S162 PolarHBondContact O-OG 3.14Å
159L93.7Very high91.5Very high95 Ų9581.2 Ų81.250%0.49742%0.424SS..Hα-helixtrans-63.1-49.3175-175.171.5000111.3I155 T156 F157 D161 S162 Q163I155-L159 PolarHBondContact O-N 3.26Å; T156-L159 PolarHBondContact O-N 3.08Å; F157-L159 VanDerWaalsContact C-N 3.33Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.74Å; L159-S162 PolarHBondContact O-N 3.19Å; L159-S162 PolarHBondContact O-OG 2.93Å; L159-Q163 WeakPolarHBondContact O-CG 3.46Å; L159-Q163 PolarHBondContact O-N 3.31Å
160I91.6Very high91.2Very high29 Ų2976.2 Ų76.215%0.14941%0.409CS..Hα-helixtrans-56.5-45.7176.1-68.8166000110.4T156 F157 S162 Q163 L164 N197 V201T156-I160 HydrophobicContact CG2-CD1 4.03Å; T156-I160 VanDerWaalsContact O-CG1 3.31Å; T156-I160 WeakPolarHBondContact O-CG1 3.43Å; T156-I160 PolarHBondContact O-N 3.49Å; F157-I160 HydrophobicContact CD1-CD1 4.31Å; F157-I160 HydrophobicContact CE1-CD1 4.48Å; F157-I160 PolarHBondContact O-N 2.86Å; I160-S162 VanDerWaalsContact C-N 3.33Å; I160-S162 PolarHBondContact O-N 3.34Å; I160-Q163 PolarHBondContact O-N 3.3Å; I160-L164 HydrophobicContact CG2-CD1 3.82Å; I160-L164 HydrophobicContact CG2-CG 4.18Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.17Å; I160-L164 PolarHBondContact O-N 2.88Å; I160-N197 HydrophobicContact CG2-CB 4.11Å; I160-V201 HydrophobicContact CG2-CG2 3.67Å
161D90.3Very high91Very high57 Ų5774.8 Ų74.831%0.30541%0.409SS..Hα-helixtrans-63.1-41.5-178.9-15751.5000111.9F157 S158 L159 S165 R173 T192 N197F157-D161 VanDerWaalsContact O-CB 3.28Å; F157-D161 WeakPolarHBondContact O-CB 3.5Å; F157-D161 PolarHBondContact O-N 3.27Å; S158-D161 PolarHBondContact O-N 3.3Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.74Å; D161-S165 WeakPolarHBondContact O-CB 3.35Å; D161-S165 PolarHBondContact O-N 3.31Å; D161-S165 VanDerWaalsContact O-N 3.09Å; D161-R173 PolarHBondContact O-NH1 2.89Å; D161-R173 VanDerWaalsContact O-NH1 3.15Å; D161-R173 IonicContact OD1-CZ 2.73Å; D161-R173 IonicContact OD1-NH1 3.72Å; D161-R173 PolarHBondContact OD1-NH1 2.89Å; D161-R173 IonicContact OD1-NH2 2.69Å; D161-R173 PolarHBondContact OD1-NH2 2.62Å; D161-R173 IonicContact OD2-NH2 2.59Å; D161-T192 PolarHBondContact OD1-OG1 3.43Å; D161-N197 PolarHBondContact OD1-ND2 2.93Å
162S90.5Very high90.6Very high53 Ų5375.3 Ų75.337%0.37141%0.407SS..Hα-helixtrans-62.5-46.5175.173.50000111.9S158 L159 I160 L164 S165 I166S158-S162 WeakPolarHBondContact O-CB 3.24Å; S158-S162 PolarHBondContact O-N 3.13Å; S158-S162 PolarHBondContact O-OG 3.14Å; L159-S162 PolarHBondContact O-N 3.19Å; L159-S162 PolarHBondContact O-OG 2.93Å; I160-S162 VanDerWaalsContact C-N 3.33Å; I160-S162 PolarHBondContact O-N 3.34Å; S162-L164 PolarHBondContact O-N 3.23Å; S162-S165 PolarHBondContact O-N 3.24Å; S162-S165 VanDerWaalsContact O-N 3.1Å; S162-S165 PolarHBondContact O-OG 3.41Å; S162-I166 WeakPolarHBondContact O-CG1 3.29Å
163Q92.1Very high90.1Very high105 Ų10568.1 Ų68.149%0.49138%0.379SS..Hα-helixtrans-66.3-41.2179.7-71.5-178.5-10.200112L159 I160 S165 I166L159-Q163 WeakPolarHBondContact O-CG 3.46Å; L159-Q163 PolarHBondContact O-N 3.31Å; I160-Q163 PolarHBondContact O-N 3.3Å; Q163-S165 PolarHBondContact O-N 2.89Å; Q163-I166 PolarHBondContact O-N 3.47Å
164L89.8Confident89.8Confident4 Ų467.9 Ų67.92%0.02138%0.381CS..Hα-helixtrans-69-14.6175.3-69.3-178000113.2I160 S162 L169 N170 N197 V200 V201 I204I160-L164 HydrophobicContact CG2-CD1 3.82Å; I160-L164 HydrophobicContact CG2-CG 4.18Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.17Å; I160-L164 PolarHBondContact O-N 2.88Å; S162-L164 PolarHBondContact O-N 3.23Å; L164-L169 HydrophobicContact CD2-CB 4.26Å; L164-L169 HydrophobicContact CD2-CD1 4.37Å; L164-N170 WeakPolarHBondContact O-CA 3.43Å; L164-N170 PolarHBondContact O-N 2.93Å; L164-N197 HydrophobicContact CD1-CB 4.06Å; L164-V200 HydrophobicContact CD1-CB 4.25Å; L164-V200 HydrophobicContact CD1-CG1 4.11Å; L164-V200 HydrophobicContact CD2-CG1 3.85Å; L164-V201 HydrophobicContact CD1-CG2 4.08Å; L164-V201 HydrophobicContact CD2-CG2 4.26Å; L164-V201 HydrophobicContact CG-CG2 4.39Å; L164-I204 HydrophobicContact CD2-CD1 3.53Å
165S88.3Confident89.5Confident56 Ų5669.7 Ų69.739%0.39238%0.384SS..THydrogen-bonded Turntrans-86.3-9175.6750000113.4D161 S162 Q163 N170D161-S165 WeakPolarHBondContact O-CB 3.35Å; D161-S165 PolarHBondContact O-N 3.31Å; D161-S165 VanDerWaalsContact O-N 3.09Å; S162-S165 PolarHBondContact O-N 3.24Å; S162-S165 VanDerWaalsContact O-N 3.1Å; S162-S165 PolarHBondContact O-OG 3.41Å; Q163-S165 PolarHBondContact O-N 2.89Å; S165-N170 WeakPolarHBondContact O-CB 3.18Å; S165-N170 VanDerWaalsContact O-CG 3.29Å; S165-N170 PolarHBondContact O-ND2 2.77Å
166I89.6Confident89.1Confident99 Ų9965.7 Ų65.751%0.50836%0.362SS..SBendtrans-96.1139-178.9-59.2164.9000109.4S162 Q163 L169 N170S162-I166 WeakPolarHBondContact O-CG1 3.29Å; Q163-I166 PolarHBondContact O-N 3.47Å; I166-L169 PolarHBondContact O-N 3.41Å; I166-L169 VanDerWaalsContact O-N 3.07Å; I166-N170 PolarHBondContact O-N 3.43Å
167P86.8Confident88.6Confident94 Ų9463.6 Ų63.661%0.6135%0.347SS*.THydrogen-bonded Turntrans-59147.1170.9-23.734.3000112.4
168P86.7Confident88.2Confident90 Ų9068.5 Ų68.558%0.58437%0.371SS*.THydrogen-bonded Turncis-82.8-8.70.433.1-35.3000113.8N170 Q171P168-N170 VanDerWaalsContact C-N 3.28Å; P168-N170 PolarHBondContact O-N 2.97Å; P168-Q171 PolarHBondContact O-N 2.87Å
169L88.5Confident87.8Confident50 Ų5070.1 Ų70.126%0.26238%0.378SS..Hα-helixtrans-65.5-30-171.1-57.4-174.7000113.4L164 I166 Q171 I172 R173 I204L164-L169 HydrophobicContact CD2-CB 4.26Å; L164-L169 HydrophobicContact CD2-CD1 4.37Å; I166-L169 PolarHBondContact O-N 3.41Å; I166-L169 VanDerWaalsContact O-N 3.07Å; L169-Q171 PolarHBondContact O-N 3.21Å; L169-I172 HydrophobicContact CD2-CD1 4.22Å; L169-I172 WeakPolarHBondContact O-CB 3.43Å; L169-I172 PolarHBondContact O-N 3.27Å; L169-I172 VanDerWaalsContact O-N 3.12Å; L169-R173 PolarHBondContact O-N 3.33Å; L169-I204 HydrophobicContact CB-CD1 4.47Å; L169-I204 HydrophobicContact CD2-CD1 3.91Å; L169-I204 HydrophobicContact CD2-CG1 4.32Å; L169-I204 HydrophobicContact CD2-CG2 4.06Å
170N89.1Confident86.7Confident47 Ų4773.4 Ų73.425%0.25138%0.384SS..Hα-helixtrans-58.9-35.9176.7-158.414.9000112.8L164 S165 I166 P168 I172 R173 D174L164-N170 WeakPolarHBondContact O-CA 3.43Å; L164-N170 PolarHBondContact O-N 2.93Å; S165-N170 WeakPolarHBondContact O-CB 3.18Å; S165-N170 VanDerWaalsContact O-CG 3.29Å; S165-N170 PolarHBondContact O-ND2 2.77Å; I166-N170 PolarHBondContact O-N 3.43Å; P168-N170 VanDerWaalsContact C-N 3.28Å; P168-N170 PolarHBondContact O-N 2.97Å; N170-I172 PolarHBondContact O-N 3.01Å; N170-R173 WeakPolarHBondContact O-CB 3.4Å; N170-R173 PolarHBondContact O-N 3.39Å; N170-D174 WeakPolarHBondContact O-CB 3.26Å; N170-D174 VanDerWaalsContact O-CG 3.27Å; N170-D174 PolarHBondContact O-N 3.02Å
171Q88.2Confident85.6Confident126 Ų12675.6 Ų75.659%0.58940%0.401SS*.Hα-helixtrans-66.2-41.4177.2-60.5179.49.600111.4P168 L169 R173 D174 I175P168-Q171 PolarHBondContact O-N 2.87Å; L169-Q171 PolarHBondContact O-N 3.21Å; Q171-R173 VanDerWaalsContact C-N 3.33Å; Q171-D174 PolarHBondContact O-N 3.32Å; Q171-I175 WeakPolarHBondContact O-CB 3.32Å; Q171-I175 WeakPolarHBondContact O-CD1 3.33Å; Q171-I175 WeakPolarHBondContact O-CG1 3.39Å; Q171-I175 PolarHBondContact O-N 3.2Å
172I86.3Confident84.1Confident67 Ų6778.7 Ų78.734%0.34442%0.423SS..Hα-helixtrans-63.6-44.1177-57.9173.5000109.8L169 N170 Y176 V200 I204L169-I172 HydrophobicContact CD2-CD1 4.22Å; L169-I172 WeakPolarHBondContact O-CB 3.43Å; L169-I172 PolarHBondContact O-N 3.27Å; L169-I172 VanDerWaalsContact O-N 3.12Å; N170-I172 PolarHBondContact O-N 3.01Å; I172-Y176 WeakPolarHBondContact O-CB 2.96Å; I172-Y176 PolarHBondContact O-N 3.21Å; I172-V200 HydrophobicContact CG2-CG1 4.46Å; I172-I204 HydrophobicContact CD1-CG1 4.02Å; I172-I204 HydrophobicContact CG2-CG1 4.04Å
173R86.2Confident82Confident21 Ų2182.4 Ų82.48%0.07945%0.447CS..Hα-helixtrans-59-49.1175.6-179.7-165.5179.7149-0.8111.3D161 L169 N170 Q171 Y176 L177 T192 V200D161-R173 PolarHBondContact O-NH1 2.89Å; D161-R173 VanDerWaalsContact O-NH1 3.15Å; D161-R173 IonicContact OD1-CZ 2.73Å; D161-R173 IonicContact OD1-NH1 3.72Å; D161-R173 PolarHBondContact OD1-NH1 2.89Å; D161-R173 IonicContact OD1-NH2 2.69Å; D161-R173 PolarHBondContact OD1-NH2 2.62Å; D161-R173 IonicContact OD2-NH2 2.59Å; L169-R173 PolarHBondContact O-N 3.33Å; N170-R173 WeakPolarHBondContact O-CB 3.4Å; N170-R173 PolarHBondContact O-N 3.39Å; Q171-R173 VanDerWaalsContact C-N 3.33Å; R173-Y176 WeakPolarHBondContact O-CB 3.24Å; R173-Y176 PolarHBondContact O-N 3.11Å; R173-L177 HydrophobicContact CG-CD1 4.02Å; R173-L177 WeakPolarHBondContact O-CB 3.41Å; R173-L177 VanDerWaalsContact O-CG 3.29Å; R173-L177 WeakPolarHBondContact O-CG 3.37Å; R173-L177 PolarHBondContact O-N 3.16Å; R173-T192 PolarHBondContact NH2-OG1 3.47Å; R173-V200 HydrophobicContact CB-CG1 4.21Å
174D85.6Confident80.2Confident71 Ų7180.2 Ų80.238%0.3845%0.452SS..Hα-helixtrans-63.4-45.6-178.9-74.2-19000111.7N170 Q171 Y176 L177 Q178N170-D174 WeakPolarHBondContact O-CB 3.26Å; N170-D174 VanDerWaalsContact O-CG 3.27Å; N170-D174 PolarHBondContact O-N 3.02Å; Q171-D174 PolarHBondContact O-N 3.32Å; D174-Y176 VanDerWaalsContact C-N 3.31Å; D174-Y176 PolarHBondContact O-N 3.43Å; D174-L177 PolarHBondContact O-N 3.04Å; D174-Q178 WeakPolarHBondContact O-CB 3.41Å; D174-Q178 WeakPolarHBondContact O-CG 3.3Å; D174-Q178 PolarHBondContact O-N 3.04Å
175I85.9Confident78Confident100 Ų10087 Ų8751%0.51349%0.489SS..Hα-helixtrans-60.4-43.7175.1-68.9165.6000110.4Q171 L177 Q178 T179Q171-I175 WeakPolarHBondContact O-CB 3.32Å; Q171-I175 WeakPolarHBondContact O-CD1 3.33Å; Q171-I175 WeakPolarHBondContact O-CG1 3.39Å; Q171-I175 PolarHBondContact O-N 3.2Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.21Å; I175-Q178 PolarHBondContact O-N 2.85Å; I175-T179 WeakPolarHBondContact O-CB 3.17Å; I175-T179 PolarHBondContact O-N 2.8Å; I175-T179 PolarHBondContact O-OG1 2.7Å
176Y85.4Confident76.1Confident35 Ų3589 Ų8914%0.13750%0.503CS..Hα-helixtrans-62.3-42.4178.9-172.4-82.9000111.9I172 R173 D174 R180 T196 S199 V200I172-Y176 WeakPolarHBondContact O-CB 2.96Å; I172-Y176 PolarHBondContact O-N 3.21Å; R173-Y176 WeakPolarHBondContact O-CB 3.24Å; R173-Y176 PolarHBondContact O-N 3.11Å; D174-Y176 VanDerWaalsContact C-N 3.31Å; D174-Y176 PolarHBondContact O-N 3.43Å; Y176-R180 HydrophobicContact CE1-CG 4.29Å; Y176-R180 PolarHBondContact O-N 3.08Å; Y176-R180 PolarHBondContact OH-NE 3.2Å; Y176-R180 PolarHBondContact OH-NH2 3.19Å; Y176-T196 HydrophobicContact CD1-CG2 4.05Å; Y176-T196 HydrophobicContact CE1-CG2 4Å; Y176-S199 WeakPolarHBondContact OH-CB 3.41Å; Y176-S199 PolarHBondContact OH-OG 3.18Å; Y176-V200 HydrophobicContact CD1-CG2 3.51Å; Y176-V200 HydrophobicContact CD2-CG2 4.18Å; Y176-V200 HydrophobicContact CE1-CG2 4.14Å; Y176-V200 HydrophobicContact CG-CG2 3.56Å
177L83.7Confident74.3Confident31 Ų3191.9 Ų91.916%0.16252%0.52CS..Hα-helixtrans-65-46.6175.9-72169.3000111.5R173 D174 I175 T179 R180 S181 A190 T192 T196R173-L177 HydrophobicContact CG-CD1 4.02Å; R173-L177 WeakPolarHBondContact O-CB 3.41Å; R173-L177 VanDerWaalsContact O-CG 3.29Å; R173-L177 WeakPolarHBondContact O-CG 3.37Å; R173-L177 PolarHBondContact O-N 3.16Å; D174-L177 PolarHBondContact O-N 3.04Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.21Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 2.88Å; L177-R180 PolarHBondContact O-N 3.49Å; L177-S181 WeakPolarHBondContact O-CB 3.48Å; L177-S181 PolarHBondContact O-N 3.07Å; L177-S181 PolarHBondContact O-OG 3.02Å; L177-A190 HydrophobicContact CD2-CB 4.41Å; L177-T192 HydrophobicContact CD1-CG2 3.65Å; L177-T192 HydrophobicContact CD2-CG2 4.01Å; L177-T192 HydrophobicContact CG-CG2 4.43Å; L177-T196 HydrophobicContact CD2-CG2 3.54Å; L177-T196 HydrophobicContact CG-CG2 4.47Å
178Q83.7Confident72.6Confident134 Ų13492.1 Ų92.163%0.62652%0.524SS*.Hα-helixtrans-60.2-41.7177.6-73.9171.910.500112.1D174 I175 R180 S181D174-Q178 WeakPolarHBondContact O-CB 3.41Å; D174-Q178 WeakPolarHBondContact O-CG 3.3Å; D174-Q178 PolarHBondContact O-N 3.04Å; I175-Q178 PolarHBondContact O-N 2.85Å; Q178-R180 VanDerWaalsContact C-N 3.34Å; Q178-R180 PolarHBondContact O-N 3.13Å; Q178-S181 WeakPolarHBondContact CA-OG 3.49Å; Q178-S181 PolarHBondContact O-N 2.96Å; Q178-S181 PolarHBondContact O-OG 3.01Å
179T80.7Confident71.1Confident108 Ų10894.4 Ų94.466%0.66354%0.536SS*.Hα-helixtrans-68.8-34.2-178.4-53.30000111.8I175 L177I175-T179 WeakPolarHBondContact O-CB 3.17Å; I175-T179 PolarHBondContact O-N 2.8Å; I175-T179 PolarHBondContact O-OG1 2.7Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 2.88Å
180R71Confident69.7Low165 Ų16594.3 Ų94.362%0.62354%0.542SS*.Hα-helixtrans-85.3-24.8177-78.2-166.2177.5-113.12.5114.2Y176 L177 Q178 T182Y176-R180 HydrophobicContact CE1-CG 4.29Å; Y176-R180 PolarHBondContact O-N 3.08Å; Y176-R180 PolarHBondContact OH-NE 3.2Å; Y176-R180 PolarHBondContact OH-NH2 3.19Å; L177-R180 PolarHBondContact O-N 3.49Å; Q178-R180 VanDerWaalsContact C-N 3.34Å; Q178-R180 PolarHBondContact O-N 3.13Å; R180-T182 PolarHBondContact O-N 3.33Å
181S69.1Low68.6Low74 Ų74103.3 Ų103.352%0.51757%0.573SS.*SBendtrans-74.372.716964.10000108.6L177 Q178 C183L177-S181 WeakPolarHBondContact O-CB 3.48Å; L177-S181 PolarHBondContact O-N 3.07Å; L177-S181 PolarHBondContact O-OG 3.02Å; Q178-S181 WeakPolarHBondContact CA-OG 3.49Å; Q178-S181 PolarHBondContact O-N 2.96Å; Q178-S181 PolarHBondContact O-OG 3.01Å; S181-C183 PolarHBondContact O-N 3.32Å
182T59.2Low67.8Low123 Ų12398.8 Ų98.876%0.75555%0.554SS**  trans-57113.7173.1-51.80000108.4R180R180-T182 PolarHBondContact O-N 3.33Å
183C47Very low67.5Low130 Ų13099 Ų9988%0.87856%0.558SS**SBendtrans50.578.6157.5-157.50000115S181S181-C183 PolarHBondContact O-N 3.32Å
184G52.4Low67.5Low59 Ų59102.4 Ų102.461%0.60857%0.574SS**  trans-174.397.8170.700000111.9
185N45.1Very low67.6Low146 Ų146107.1 Ų107.178%0.78159%0.591SS**  trans32.2110.3154.7-58.945000117.9
186S48.3Very low67.6Low100 Ų100103.7 Ų103.770%0.69958%0.575SS**SBendtrans20122.3141.256.10000118.5
187N50.4Low67.8Low159 Ų159102.3 Ų102.385%0.8557%0.57SS**  trans77.818158.5-48.7-11.7000117.8T189N187-T189 PolarHBondContact O-N 3.23Å; N187-T189 VanDerWaalsContact O-N 3.07Å
188S52.5Low68.1Low99 Ų99105.1 Ų105.169%0.69258%0.584SS**  trans-67.9110.6163-171.70000108.6A190S188-A190 PolarHBondContact O-N 2.97Å
189T55Low68.4Low137 Ų137100.3 Ų100.384%0.8457%0.566SS**  trans-58.684153.540.50000106.7N187 R191N187-T189 PolarHBondContact O-N 3.23Å; N187-T189 VanDerWaalsContact O-N 3.07Å; T189-R191 PolarHBondContact O-N 3.49Å
190A58.6Low68.9Low48 Ų4895.2 Ų95.240%0.39753%0.534SS..  trans-62.1100.8-176.900000107.3L177 S188 T192L177-A190 HydrophobicContact CD2-CB 4.41Å; S188-A190 PolarHBondContact O-N 2.97Å; A190-T192 PolarHBondContact O-N 2.9Å
191R65.4Low69.9Low236 Ų23689.6 Ų89.689%0.89152%0.518SS*.  trans-54.2109.3176.1-175.2178.7-177.71781.6107.2T189 T193T189-R191 PolarHBondContact O-N 3.49Å; R191-T193 PolarHBondContact O-N 3.15Å
192T72.2Confident71Confident31 Ų3191.8 Ų91.819%0.1952%0.52CS..  trans-70.7118.4-177.349.10000109D161 R173 L177 A190 N197D161-T192 PolarHBondContact OD1-OG1 3.43Å; R173-T192 PolarHBondContact NH2-OG1 3.47Å; L177-T192 HydrophobicContact CD1-CG2 3.65Å; L177-T192 HydrophobicContact CD2-CG2 4.01Å; L177-T192 HydrophobicContact CG-CG2 4.43Å; A190-T192 PolarHBondContact O-N 2.9Å; T192-N197 WeakPolarHBondContact CB-OD1 3.3Å
193T80.4Confident72.4Confident72 Ų7287.6 Ų87.644%0.44249%0.494SS..  trans-76.5153.3175.3720000109.6R191 K195 T196 N197R191-T193 PolarHBondContact O-N 3.15Å; T193-K195 PolarHBondContact O-N 2.99Å; T193-K195 VanDerWaalsContact O-N 3.14Å; T193-T196 WeakPolarHBondContact O-CA 3.28Å; T193-T196 WeakPolarHBondContact O-CB 3.35Å; T193-T196 PolarHBondContact O-N 3.31Å; T193-T196 PolarHBondContact OG1-N 2.79Å; T193-T196 VanDerWaalsContact OG1-N 3.1Å; T193-T196 PolarHBondContact OG1-OG1 3.26Å; T193-N197 PolarHBondContact O-N 2.99Å
194K86Confident74.5Confident92 Ų9283 Ų8340%0.446%0.46SS..Hα-helixtrans-47.5-41.4169.9-70.1-178.1170.4-174.30111.6E153 F157 T196 N197 L198E153-K194 IonicContact OE1-NZ 3.08Å; E153-K194 PolarHBondContact OE1-NZ 3.34Å; E153-K194 IonicContact OE2-NZ 2.75Å; F157-K194 HydrophobicContact CD1-CB 4.02Å; F157-K194 HydrophobicContact CD1-CD 4.45Å; F157-K194 HydrophobicContact CD1-CG 3.8Å; F157-K194 HydrophobicContact CD2-CD 3.61Å; F157-K194 VanDerWaalsContact CD2-CE 3.45Å; F157-K194 HydrophobicContact CD2-CG 3.87Å; F157-K194 HydrophobicContact CE1-CB 3.64Å; F157-K194 HydrophobicContact CE1-CD 4.41Å; F157-K194 HydrophobicContact CE1-CG 3.89Å; F157-K194 HydrophobicContact CE2-CB 4.24Å; F157-K194 HydrophobicContact CE2-CD 3.59Å; F157-K194 HydrophobicContact CE2-CG 3.98Å; F157-K194 HydrophobicContact CG-CB 4.48Å; F157-K194 HydrophobicContact CG-CD 4.08Å; F157-K194 HydrophobicContact CG-CG 3.8Å; F157-K194 HydrophobicContact CZ-CB 3.77Å; F157-K194 HydrophobicContact CZ-CD 4.01Å; F157-K194 HydrophobicContact CZ-CG 3.98Å; K194-T196 PolarHBondContact O-N 3.39Å; K194-N197 PolarHBondContact O-N 2.91Å; K194-L198 WeakPolarHBondContact O-CG 3.28Å; K194-L198 PolarHBondContact O-N 3.23Å
195K87.3Confident76.3Confident170 Ų17083.7 Ų83.774%0.73945%0.453SS*.Hα-helixtrans-62.7-40.9176.8-175.3175.2-178.3174.70112.6T193 S199T193-K195 PolarHBondContact O-N 2.99Å; T193-K195 VanDerWaalsContact O-N 3.14Å; K195-S199 PolarHBondContact O-N 2.94Å
196T86.7Confident78.4Confident29 Ų2982 Ų8218%0.17844%0.435CS..Hα-helixtrans-65.9-48.2176.7-51.40000111Y176 L177 T193 K194 L198 S199 V200Y176-T196 HydrophobicContact CD1-CG2 4.05Å; Y176-T196 HydrophobicContact CE1-CG2 4Å; L177-T196 HydrophobicContact CD2-CG2 3.54Å; L177-T196 HydrophobicContact CG-CG2 4.47Å; T193-T196 WeakPolarHBondContact O-CA 3.28Å; T193-T196 WeakPolarHBondContact O-CB 3.35Å; T193-T196 PolarHBondContact O-N 3.31Å; T193-T196 PolarHBondContact OG1-N 2.79Å; T193-T196 VanDerWaalsContact OG1-N 3.1Å; T193-T196 PolarHBondContact OG1-OG1 3.26Å; K194-T196 PolarHBondContact O-N 3.39Å; T196-L198 PolarHBondContact O-N 3.43Å; T196-S199 PolarHBondContact O-N 3.32Å; T196-S199 VanDerWaalsContact O-N 3.09Å; T196-V200 WeakPolarHBondContact O-CG2 2.93Å; T196-V200 PolarHBondContact O-N 3.12Å
197N89Confident80.3Confident6 Ų683.6 Ų83.63%0.03243%0.43CS..Hα-helixtrans-59.6-46.4178.5-75.14.5000111.3I160 D161 L164 T192 T193 K194 S199 V200 V201I160-N197 HydrophobicContact CG2-CB 4.11Å; D161-N197 PolarHBondContact OD1-ND2 2.93Å; L164-N197 HydrophobicContact CD1-CB 4.06Å; T192-N197 WeakPolarHBondContact CB-OD1 3.3Å; T193-N197 PolarHBondContact O-N 2.99Å; K194-N197 PolarHBondContact O-N 2.91Å; N197-S199 VanDerWaalsContact C-N 3.29Å; N197-S199 PolarHBondContact O-N 2.8Å; N197-V200 PolarHBondContact O-N 3.39Å; N197-V201 WeakPolarHBondContact O-CG2 3.48Å; N197-V201 PolarHBondContact O-N 2.93Å
198L91.1Very high82.1Confident90 Ų9083.2 Ų83.247%0.47142%0.416SS..Hα-helixtrans-59-40.2174.8-72.5176.8000112.4F157 K194 T196 V201 H202F157-L198 HydrophobicContact CE1-CD1 4.24Å; F157-L198 HydrophobicContact CE1-CD2 4.01Å; F157-L198 HydrophobicContact CE1-CG 3.83Å; F157-L198 HydrophobicContact CZ-CD1 4Å; F157-L198 HydrophobicContact CZ-CD2 4.24Å; F157-L198 HydrophobicContact CZ-CG 4.08Å; K194-L198 WeakPolarHBondContact O-CG 3.28Å; K194-L198 PolarHBondContact O-N 3.23Å; T196-L198 PolarHBondContact O-N 3.43Å; L198-V201 PolarHBondContact O-N 3.13Å; L198-H202 VanDerWaalsContact O-CB 3.27Å; L198-H202 WeakPolarHBondContact O-CB 2.92Å; L198-H202 PolarHBondContact O-N 3.22Å
199S89.6Confident83.8Confident33 Ų3383 Ų8323%0.23141%0.407CS..Hα-helixtrans-70.2-33.7179.2-168.10000113Y176 K195 T196 N197 T203Y176-S199 WeakPolarHBondContact OH-CB 3.41Å; Y176-S199 PolarHBondContact OH-OG 3.18Å; K195-S199 PolarHBondContact O-N 2.94Å; T196-S199 PolarHBondContact O-N 3.32Å; T196-S199 VanDerWaalsContact O-N 3.09Å; N197-S199 VanDerWaalsContact C-N 3.29Å; N197-S199 PolarHBondContact O-N 2.8Å; S199-T203 WeakPolarHBondContact O-CB 3.28Å; S199-T203 PolarHBondContact O-N 3.44Å; S199-T203 PolarHBondContact O-OG1 2.78Å
200V90.7Very high85.2Confident0 Ų078.1 Ų78.10%037%0.374CS..Hα-helixtrans-65.5-49.4172.9173.40000109.6L164 I172 R173 Y176 T196 N197 H202 T203 I204L164-V200 HydrophobicContact CD1-CB 4.25Å; L164-V200 HydrophobicContact CD1-CG1 4.11Å; L164-V200 HydrophobicContact CD2-CG1 3.85Å; I172-V200 HydrophobicContact CG2-CG1 4.46Å; R173-V200 HydrophobicContact CB-CG1 4.21Å; Y176-V200 HydrophobicContact CD1-CG2 3.51Å; Y176-V200 HydrophobicContact CD2-CG2 4.18Å; Y176-V200 HydrophobicContact CE1-CG2 4.14Å; Y176-V200 HydrophobicContact CG-CG2 3.56Å; T196-V200 WeakPolarHBondContact O-CG2 2.93Å; T196-V200 PolarHBondContact O-N 3.12Å; N197-V200 PolarHBondContact O-N 3.39Å; V200-H202 PolarHBondContact O-N 3.34Å; V200-T203 WeakPolarHBondContact O-CA 3.31Å; V200-T203 WeakPolarHBondContact O-CB 3.44Å; V200-T203 PolarHBondContact O-N 3.49Å; V200-T203 VanDerWaalsContact O-N 3.08Å; V200-I204 HydrophobicContact CG1-CD1 3.71Å; V200-I204 HydrophobicContact CG1-CG1 4.45Å; V200-I204 WeakPolarHBondContact O-CG1 3.19Å; V200-I204 PolarHBondContact O-N 3.35Å
201V92.8Very high86.5Confident47 Ų4780.2 Ų80.229%0.28538%0.375SS..Hα-helixtrans-55.6-50.2175.5172.40000111.1I160 L164 N197 L198 T203 I204 V205I160-V201 HydrophobicContact CG2-CG2 3.67Å; L164-V201 HydrophobicContact CD1-CG2 4.08Å; L164-V201 HydrophobicContact CD2-CG2 4.26Å; L164-V201 HydrophobicContact CG-CG2 4.39Å; N197-V201 WeakPolarHBondContact O-CG2 3.48Å; N197-V201 PolarHBondContact O-N 2.93Å; L198-V201 PolarHBondContact O-N 3.13Å; V201-T203 PolarHBondContact O-N 3.46Å; V201-I204 PolarHBondContact O-N 3.48Å; V201-I204 VanDerWaalsContact O-N 3.16Å; V201-V205 HydrophobicContact CG1-CG2 4.21Å; V201-V205 WeakPolarHBondContact O-CG2 3.49Å; V201-V205 PolarHBondContact O-N 2.07Å
202H90.9Very high87.7Confident121 Ų12175.6 Ų75.656%0.5636%0.359SS*.Hα-helixtrans-57.5-39.2177.7177.3-88.7000112L198 V200 R206L198-H202 VanDerWaalsContact O-CB 3.27Å; L198-H202 WeakPolarHBondContact O-CB 2.92Å; L198-H202 PolarHBondContact O-N 3.22Å; V200-H202 PolarHBondContact O-N 3.34Å; H202-R206 VanDerWaalsContact O-CB 3.29Å; H202-R206 WeakPolarHBondContact O-CB 3.3Å; H202-R206 PolarHBondContact O-N 3.15Å
203T89.1Confident88.4Confident34 Ų3477.5 Ų77.521%0.20937%0.368CS..Hα-helixtrans-65.7-48.1177-57.80000110.9S199 V200 V201 V205 R206 F207S199-T203 WeakPolarHBondContact O-CB 3.28Å; S199-T203 PolarHBondContact O-N 3.44Å; S199-T203 PolarHBondContact O-OG1 2.78Å; V200-T203 WeakPolarHBondContact O-CA 3.31Å; V200-T203 WeakPolarHBondContact O-CB 3.44Å; V200-T203 PolarHBondContact O-N 3.49Å; V200-T203 VanDerWaalsContact O-N 3.08Å; V201-T203 PolarHBondContact O-N 3.46Å; T203-V205 PolarHBondContact O-N 2.98Å; T203-R206 PolarHBondContact O-N 3.26Å; T203-F207 HydrophobicContact CG2-CD2 3.67Å; T203-F207 HydrophobicContact CG2-CE2 3.47Å; T203-F207 VanDerWaalsContact CG2-CE2 3.47Å; T203-F207 WeakPolarHBondContact O-CD2 3.37Å; T203-F207 PolarHBondContact O-N 3.43Å
204I90.5Very high88.7Confident34 Ų3477 Ų7717%0.17436%0.361CS..Hα-helixtrans-57.8-49.5177.1-67.2158.3000110.7L164 L169 I172 V200 V201 R206 F207 R208L164-I204 HydrophobicContact CD2-CD1 3.53Å; L169-I204 HydrophobicContact CB-CD1 4.47Å; L169-I204 HydrophobicContact CD2-CD1 3.91Å; L169-I204 HydrophobicContact CD2-CG1 4.32Å; L169-I204 HydrophobicContact CD2-CG2 4.06Å; I172-I204 HydrophobicContact CD1-CG1 4.02Å; I172-I204 HydrophobicContact CG2-CG1 4.04Å; V200-I204 HydrophobicContact CG1-CD1 3.71Å; V200-I204 HydrophobicContact CG1-CG1 4.45Å; V200-I204 WeakPolarHBondContact O-CG1 3.19Å; V200-I204 PolarHBondContact O-N 3.35Å; V201-I204 PolarHBondContact O-N 3.48Å; V201-I204 VanDerWaalsContact O-N 3.16Å; I204-R206 VanDerWaalsContact C-N 3.33Å; I204-R206 PolarHBondContact O-N 3.32Å; I204-F207 PolarHBondContact O-N 3.13Å; I204-R208 PolarHBondContact O-N 3.19Å
205V91.1Very high88.8Confident73 Ų7377.1 Ų77.144%0.44236%0.364SS..Hα-helixtrans-59.5-45.4178.6171.50000110.7V201 T203 F207 R208 I209V201-V205 HydrophobicContact CG1-CG2 4.21Å; V201-V205 WeakPolarHBondContact O-CG2 3.49Å; V201-V205 PolarHBondContact O-N 2.07Å; T203-V205 PolarHBondContact O-N 2.98Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.45Å; V205-R208 PolarHBondContact O-N 3.07Å; V205-I209 HydrophobicContact CG1-CD1 3.75Å; V205-I209 HydrophobicContact CG1-CG1 4.41Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.38Å; V205-I209 PolarHBondContact O-N 3.04Å
206R88.7Confident88.9Confident111 Ų11172.3 Ų72.342%0.41935%0.346SS..Hα-helixtrans-60.3-41.9177.3-172.5-178.9-176-168.70.5112.1H202 T203 I204 K210H202-R206 VanDerWaalsContact O-CB 3.29Å; H202-R206 WeakPolarHBondContact O-CB 3.3Å; H202-R206 PolarHBondContact O-N 3.15Å; T203-R206 PolarHBondContact O-N 3.26Å; I204-R206 VanDerWaalsContact C-N 3.33Å; I204-R206 PolarHBondContact O-N 3.32Å; R206-K210 WeakPolarHBondContact O-CG 3.37Å; R206-K210 PolarHBondContact O-N 3.07Å; R206-K210 VanDerWaalsContact O-N 3.11Å
207F87.5Confident88.9Confident133 Ų13373.7 Ų73.758%0.58335%0.348SS*.Hα-helixtrans-66.3-43.5176.3-83.9-69.6000112T203 I204 V205 I209 K210 E211T203-F207 HydrophobicContact CG2-CD2 3.67Å; T203-F207 HydrophobicContact CG2-CE2 3.47Å; T203-F207 VanDerWaalsContact CG2-CE2 3.47Å; T203-F207 WeakPolarHBondContact O-CD2 3.37Å; T203-F207 PolarHBondContact O-N 3.43Å; I204-F207 PolarHBondContact O-N 3.13Å; V205-F207 VanDerWaalsContact C-N 3.33Å; V205-F207 PolarHBondContact O-N 3.45Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.05Å; F207-K210 WeakPolarHBondContact O-CB 3.48Å; F207-K210 PolarHBondContact O-N 3.28Å; F207-K210 VanDerWaalsContact O-N 3.14Å; F207-E211 PolarHBondContact O-N 2.83Å
208R89.3Confident88.9Confident151 Ų15177.4 Ų77.457%0.5736%0.364SS*.Hα-helixtrans-63.5-40.5179.2-171.659.5174.7169.63.9112.4I204 V205 K210 E211 Y212I204-R208 PolarHBondContact O-N 3.19Å; V205-R208 PolarHBondContact O-N 3.07Å; R208-K210 VanDerWaalsContact C-N 3.34Å; R208-E211 WeakPolarHBondContact CD-OE2 3.44Å; R208-E211 IonicContact CZ-OE2 2.78Å; R208-E211 IonicContact NH1-OE1 2.69Å; R208-E211 IonicContact NH1-OE2 3.56Å; R208-E211 PolarHBondContact NH1-OE2 3.41Å; R208-E211 PolarHBondContact O-N 2.94Å; R208-Y212 WeakPolarHBondContact O-CB 3.28Å; R208-Y212 PolarHBondContact O-N 2.97Å
209I87.2Confident88.9Confident95 Ų9578.2 Ų78.249%0.48737%0.366SS..Hα-helixtrans-62.1-43.6173.7-67.8167.4000110.4V205 F207 Y212 L213V205-I209 HydrophobicContact CG1-CD1 3.75Å; V205-I209 HydrophobicContact CG1-CG1 4.41Å; V205-I209 VanDerWaalsContact O-CG1 3.3Å; V205-I209 WeakPolarHBondContact O-CG1 3.38Å; V205-I209 PolarHBondContact O-N 3.04Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.05Å; I209-Y212 PolarHBondContact O-N 3.07Å; I209-L213 HydrophobicContact CG2-CD1 4.11Å; I209-L213 HydrophobicContact CG2-CG 4.44Å; I209-L213 VanDerWaalsContact O-CG 3.28Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.14Å
210K85.5Confident88.9Confident34 Ų3480.4 Ų80.415%0.14837%0.374CS..Hα-helixtrans-61.1-46.3177.2-78.8-177.5168.3-166.50112.2R206 F207 R208 L213 I214 D264 L265R206-K210 WeakPolarHBondContact O-CG 3.37Å; R206-K210 PolarHBondContact O-N 3.07Å; R206-K210 VanDerWaalsContact O-N 3.11Å; F207-K210 WeakPolarHBondContact O-CB 3.48Å; F207-K210 PolarHBondContact O-N 3.28Å; F207-K210 VanDerWaalsContact O-N 3.14Å; R208-K210 VanDerWaalsContact C-N 3.34Å; K210-L213 PolarHBondContact O-N 3.11Å; K210-I214 WeakPolarHBondContact O-CG1 3.45Å; K210-I214 PolarHBondContact O-N 2.92Å; K210-D264 IonicContact NZ-OD2 3.74Å; K210-D264 PolarHBondContact NZ-OD2 3.03Å; K210-L265 HydrophobicContact CB-CD2 4.35Å; K210-L265 HydrophobicContact CG-CD2 4.47Å
211E86.4Confident88.9Confident92 Ų9281.9 Ų81.943%0.4338%0.381SS..Hα-helixtrans-58.9-48177.1-175.2179.3-146.300111.2F207 R208 L213 I214 E215F207-E211 PolarHBondContact O-N 2.83Å; R208-E211 WeakPolarHBondContact CD-OE2 3.44Å; R208-E211 IonicContact CZ-OE2 2.78Å; R208-E211 IonicContact NH1-OE1 2.69Å; R208-E211 IonicContact NH1-OE2 3.56Å; R208-E211 PolarHBondContact NH1-OE2 3.41Å; R208-E211 PolarHBondContact O-N 2.94Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.73Å; E211-I214 WeakPolarHBondContact O-CB 3.45Å; E211-I214 PolarHBondContact O-N 3.44Å; E211-E215 PolarHBondContact O-N 2.82Å
212Y89.5Confident88.9Confident140 Ų14086.1 Ų86.155%0.54939%0.392SS..Hα-helixtrans-58.2-39.9175.5179.3-101.6000112.8R208 I209 I214 E215 L216R208-Y212 WeakPolarHBondContact O-CB 3.28Å; R208-Y212 PolarHBondContact O-N 2.97Å; I209-Y212 PolarHBondContact O-N 3.07Å; Y212-I214 VanDerWaalsContact C-N 3.34Å; Y212-I214 PolarHBondContact O-N 3.43Å; Y212-E215 PolarHBondContact O-N 2.91Å; Y212-L216 HydrophobicContact CE1-CD2 4.44Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.04Å
213L87.4Confident89Confident71 Ų7183.9 Ų83.937%0.37239%0.386SS..Hα-helixtrans-67.8-32.5176.6-70.8174.3000112.8I209 K210 E211 R217 L265I209-L213 HydrophobicContact CG2-CD1 4.11Å; I209-L213 HydrophobicContact CG2-CG 4.44Å; I209-L213 VanDerWaalsContact O-CG 3.28Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 3.14Å; K210-L213 PolarHBondContact O-N 3.11Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.73Å; L213-R217 WeakPolarHBondContact O-CB 3.38Å; L213-R217 PolarHBondContact O-N 2.73Å; L213-L265 HydrophobicContact CB-CD2 4.33Å; L213-L265 HydrophobicContact CD1-CD1 4.43Å
214I85.9Confident89.2Confident60 Ų6083 Ų8331%0.30838%0.381SS..Hα-helixtrans-67-50.2173.8-66.4166.4000109.5K210 E211 Y212 L216 R217 E218 L265K210-I214 WeakPolarHBondContact O-CG1 3.45Å; K210-I214 PolarHBondContact O-N 2.92Å; E211-I214 WeakPolarHBondContact O-CB 3.45Å; E211-I214 PolarHBondContact O-N 3.44Å; Y212-I214 VanDerWaalsContact C-N 3.34Å; Y212-I214 PolarHBondContact O-N 3.43Å; I214-L216 VanDerWaalsContact C-N 3.31Å; I214-L216 PolarHBondContact O-N 2.97Å; I214-R217 WeakPolarHBondContact O-CB 3.08Å; I214-R217 PolarHBondContact O-N 2.82Å; I214-R217 VanDerWaalsContact O-N 3.15Å; I214-E218 PolarHBondContact O-N 3.15Å; I214-L265 HydrophobicContact CD1-CD2 4.21Å; I214-L265 HydrophobicContact CG1-CD2 3.69Å
215E88.1Confident89.3Confident96 Ų9683.2 Ų83.245%0.44938%0.382SS..Hα-helixtrans-58-44.3177.7-70.7177.9-17900111.8E211 Y212 R217 E218 H219E211-E215 PolarHBondContact O-N 2.82Å; Y212-E215 PolarHBondContact O-N 2.91Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-R217 PolarHBondContact O-N 2.74Å; E215-E218 PolarHBondContact O-N 2.84Å; E215-H219 WeakPolarHBondContact O-CB 3.44Å; E215-H219 PolarHBondContact O-N 3.06Å
216L89.3Confident89.4Confident69 Ų6983.9 Ų83.936%0.36139%0.386SS..Hα-helixtrans-61.7-43.1176.9-177.863.2000111.6Y212 I214 H219 I220Y212-L216 HydrophobicContact CE1-CD2 4.44Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.04Å; I214-L216 VanDerWaalsContact C-N 3.31Å; I214-L216 PolarHBondContact O-N 2.97Å; L216-H219 PolarHBondContact O-N 3.34Å; L216-I220 HydrophobicContact CG-CD1 4.21Å; L216-I220 VanDerWaalsContact O-CG1 3.32Å; L216-I220 WeakPolarHBondContact O-CG1 3.47Å; L216-I220 PolarHBondContact O-N 3Å
217R86.9Confident89.6Confident58 Ų5881.9 Ų81.922%0.21938%0.384CS..Hα-helixtrans-62.8-45177.1-177-179.9180-138.5-3.2111.6L213 I214 E215 H219 I220 H221 E270L213-R217 WeakPolarHBondContact O-CB 3.38Å; L213-R217 PolarHBondContact O-N 2.73Å; I214-R217 WeakPolarHBondContact O-CB 3.08Å; I214-R217 PolarHBondContact O-N 2.82Å; I214-R217 VanDerWaalsContact O-N 3.15Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-R217 PolarHBondContact O-N 2.74Å; R217-H219 VanDerWaalsContact C-N 3.31Å; R217-H219 PolarHBondContact O-N 3.04Å; R217-I220 PolarHBondContact O-N 3Å; R217-H221 PolarHBondContact O-CD2 2.98Å; R217-H221 PolarHBondContact O-N 3.45Å; R217-E270 IonicContact CZ-OE1 3.2Å; R217-E270 IonicContact CZ-OE2 3.81Å; R217-E270 IonicContact NH1-OE1 2.7Å; R217-E270 PolarHBondContact NH1-OE1 3.03Å; R217-E270 IonicContact NH1-OE2 2.88Å; R217-E270 PolarHBondContact NH1-OE2 3.03Å; R217-E270 IonicContact NH2-OE1 2.8Å; R217-E270 PolarHBondContact NH2-OE1 3.11Å; R217-E270 IonicContact NH2-OE2 3.56Å; R217-E270 PolarHBondContact NH2-OE2 3.38Å
218E89.3Confident89.9Confident83 Ų8375.6 Ų75.639%0.38836%0.356SS..Hα-helixtrans-61.9-40.7175.8-71.5-176.2176.700111.9I214 E215 H221 R222I214-E218 PolarHBondContact O-N 3.15Å; E215-E218 PolarHBondContact O-N 2.84Å; E218-H221 PolarHBondContact O-N 3.23Å; E218-R222 WeakPolarHBondContact O-CG 3.33Å; E218-R222 PolarHBondContact O-N 3.37Å; E218-R222 IonicContact OE2-CZ 2.62Å; E218-R222 IonicContact OE2-NH2 3.49Å; E218-R222 PolarHBondContact OE2-NH2 2.93Å
219H90.7Very high90.1Very high108 Ų10874.6 Ų74.650%0.536%0.357SS..Hα-helixtrans-62-43.9175.9179.570.1000112.1E215 L216 R217 H221 R222 T223E215-H219 WeakPolarHBondContact O-CB 3.44Å; E215-H219 PolarHBondContact O-N 3.06Å; L216-H219 PolarHBondContact O-N 3.34Å; R217-H219 VanDerWaalsContact C-N 3.31Å; R217-H219 PolarHBondContact O-N 3.04Å; H219-H221 VanDerWaalsContact C-N 3.33Å; H219-H221 PolarHBondContact O-N 3.15Å; H219-R222 PolarHBondContact O-N 3.07Å; H219-T223 WeakPolarHBondContact O-CB 3.16Å; H219-T223 PolarHBondContact O-N 3.25Å; H219-T223 PolarHBondContact O-OG1 2.95Å
220I89.6Confident90.3Very high79 Ų7976 Ų7641%0.40537%0.366SS..Hα-helixtrans-59-46.2173.2-68.8164.9000110.1L216 R217 T223 L224L216-I220 HydrophobicContact CG-CD1 4.21Å; L216-I220 VanDerWaalsContact O-CG1 3.32Å; L216-I220 WeakPolarHBondContact O-CG1 3.47Å; L216-I220 PolarHBondContact O-N 3Å; R217-I220 PolarHBondContact O-N 3Å; I220-T223 PolarHBondContact O-N 3.25Å; I220-L224 HydrophobicContact CG2-CD1 3.85Å; I220-L224 HydrophobicContact CG2-CG 4.24Å; I220-L224 WeakPolarHBondContact O-CB 3.44Å; I220-L224 VanDerWaalsContact O-CG 3.29Å; I220-L224 WeakPolarHBondContact O-CG 3.27Å; I220-L224 PolarHBondContact O-N 3.46Å
221H91.3Very high90.5Very high30 Ų3076.9 Ų76.914%0.13937%0.372CS..Hα-helixtrans-61.2-46.3178.8-74.3-174.2000112.7R217 E218 H219 T223 L224 D225 R240R217-H221 PolarHBondContact O-CD2 2.98Å; R217-H221 PolarHBondContact O-N 3.45Å; E218-H221 PolarHBondContact O-N 3.23Å; H219-H221 VanDerWaalsContact C-N 3.33Å; H219-H221 PolarHBondContact O-N 3.15Å; H221-T223 VanDerWaalsContact C-N 3.3Å; H221-T223 PolarHBondContact O-N 2.88Å; H221-L224 PolarHBondContact O-N 3.42Å; H221-D225 WeakPolarHBondContact O-CB 3.46Å; H221-D225 VanDerWaalsContact O-CG 3.22Å; H221-D225 PolarHBondContact O-N 3.38Å; H221-D225 VanDerWaalsContact O-OD2 3.09Å; H221-R240 PolarHBondContact ND1-NH2 3.25Å; H221-R240 VanDerWaalsContact ND1-NH2 3.19Å
222R92.5Very high90.7Very high137 Ų13775.2 Ų75.252%0.51737%0.365SS..Hα-helixtrans-58.8-43.3175.5-69.2177.1-161.4116.48.3111.3E218 H219 D225 T226E218-R222 WeakPolarHBondContact O-CG 3.33Å; E218-R222 PolarHBondContact O-N 3.37Å; E218-R222 IonicContact OE2-CZ 2.62Å; E218-R222 IonicContact OE2-NH2 3.49Å; E218-R222 PolarHBondContact OE2-NH2 2.93Å; H219-R222 PolarHBondContact O-N 3.07Å; R222-D225 PolarHBondContact O-N 2.75Å; R222-T226 PolarHBondContact O-N 3.47Å; R222-T226 PolarHBondContact O-OG1 2.68Å
223T93.9Very high90.5Very high73 Ų7376.2 Ų76.245%0.44838%0.375SS..Hα-helixtrans-65-42.5179-54.40000111.5H219 I220 H221 T226 L227H219-T223 WeakPolarHBondContact O-CB 3.16Å; H219-T223 PolarHBondContact O-N 3.25Å; H219-T223 PolarHBondContact O-OG1 2.95Å; I220-T223 PolarHBondContact O-N 3.25Å; H221-T223 VanDerWaalsContact C-N 3.3Å; H221-T223 PolarHBondContact O-N 2.88Å; T223-T226 PolarHBondContact O-N 3.4Å; T223-L227 WeakPolarHBondContact O-CB 3.47Å; T223-L227 PolarHBondContact O-N 3.2Å
224L92.3Very high90.5Very high16 Ų1679.5 Ų79.58%0.08439%0.393CS..Hα-helixtrans-65.1-41.3174.1-71.3174.5000111.8I220 H221 L227 F228 R240 A244 L248I220-L224 HydrophobicContact CG2-CD1 3.85Å; I220-L224 HydrophobicContact CG2-CG 4.24Å; I220-L224 WeakPolarHBondContact O-CB 3.44Å; I220-L224 VanDerWaalsContact O-CG 3.29Å; I220-L224 WeakPolarHBondContact O-CG 3.27Å; I220-L224 PolarHBondContact O-N 3.46Å; H221-L224 PolarHBondContact O-N 3.42Å; L224-L227 PolarHBondContact O-N 3.26Å; L224-F228 HydrophobicContact CB-CD2 4.34Å; L224-F228 HydrophobicContact CB-CE2 4.04Å; L224-F228 HydrophobicContact CD2-CE2 4.16Å; L224-F228 HydrophobicContact CD2-CZ 4.1Å; L224-F228 WeakPolarHBondContact O-CB 3.33Å; L224-F228 WeakPolarHBondContact O-CD2 3.42Å; L224-F228 WeakPolarHBondContact O-CG 3.48Å; L224-F228 PolarHBondContact O-N 3.47Å; L224-R240 HydrophobicContact CB-CG 3.94Å; L224-R240 HydrophobicContact CD1-CG 4.31Å; L224-A244 HydrophobicContact CD1-CB 4.08Å; L224-L248 HydrophobicContact CD2-CD1 3.4Å; L224-L248 VanDerWaalsContact CD2-CD1 3.4Å
225D92.9Very high90.8Very high39 Ų3978 Ų7821%0.20938%0.384CS..Hα-helixtrans-60.5-47.1175.8-73.6-39.4000110.5H221 R222 F228 H229 Y235 R240H221-D225 WeakPolarHBondContact O-CB 3.46Å; H221-D225 VanDerWaalsContact O-CG 3.22Å; H221-D225 PolarHBondContact O-N 3.38Å; H221-D225 VanDerWaalsContact O-OD2 3.09Å; R222-D225 PolarHBondContact O-N 2.75Å; D225-F228 PolarHBondContact O-N 2.87Å; D225-H229 WeakPolarHBondContact O-CB 3.3Å; D225-H229 PolarHBondContact O-N 3.03Å; D225-Y235 HydrophobicContact CB-CE1 4.13Å; D225-Y235 WeakPolarHBondContact OD1-CE1 3.45Å; D225-Y235 PolarHBondContact OD1-OH 3.45Å; D225-R240 WeakPolarHBondContact OD1-CD 3.17Å; D225-R240 IonicContact OD1-NH1 2.86Å; D225-R240 PolarHBondContact OD1-NH1 2.73Å; D225-R240 IonicContact OD2-CZ 3.75Å; D225-R240 IonicContact OD2-NH1 3.96Å; D225-R240 PolarHBondContact OD2-NH1 3.41Å
226T93.3Very high90.9Very high86 Ų8678 Ų7853%0.52838%0.384SS..Hα-helixtrans-61.3-45.2174.9-56.60000111.8R222 T223 N230R222-T226 PolarHBondContact O-N 3.47Å; R222-T226 PolarHBondContact O-OG1 2.68Å; T223-T226 PolarHBondContact O-N 3.4Å; T226-N230 VanDerWaalsContact O-CG 3.27Å; T226-N230 PolarHBondContact O-N 2.71Å; T226-N230 PolarHBondContact O-ND2 3.25Å
227L93.3Very high90.9Very high70 Ų7077.3 Ų77.337%0.36639%0.388SS..Hα-helixtrans-59.8-51.2178.3-179.268.1000111.2T223 L224 N230 L231 L248T223-L227 WeakPolarHBondContact O-CB 3.47Å; T223-L227 PolarHBondContact O-N 3.2Å; L224-L227 PolarHBondContact O-N 3.26Å; L227-N230 PolarHBondContact O-N 2.95Å; L227-L231 HydrophobicContact CD1-CD1 4Å; L227-L231 HydrophobicContact CG-CD1 3.83Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 3.27Å; L227-L231 VanDerWaalsContact O-N 3.16Å; L227-L248 HydrophobicContact CD2-CD1 4.4Å
228F93.8Very high91Very high0 Ų080.1 Ų80.10%040%0.402CS..Hα-helixtrans-72.9-31.9-176.6-62.8-38.5000113.4L224 D225 N230 L231 I232 Y235 R240 L243 A244 I247 L248L224-F228 HydrophobicContact CB-CD2 4.34Å; L224-F228 HydrophobicContact CB-CE2 4.04Å; L224-F228 HydrophobicContact CD2-CE2 4.16Å; L224-F228 HydrophobicContact CD2-CZ 4.1Å; L224-F228 WeakPolarHBondContact O-CB 3.33Å; L224-F228 WeakPolarHBondContact O-CD2 3.42Å; L224-F228 WeakPolarHBondContact O-CG 3.48Å; L224-F228 PolarHBondContact O-N 3.47Å; D225-F228 PolarHBondContact O-N 2.87Å; F228-N230 PolarHBondContact O-N 3.1Å; F228-L231 HydrophobicContact CD1-CD1 4.32Å; F228-L231 PolarHBondContact O-N 3.35Å; F228-L231 VanDerWaalsContact O-N 3.12Å; F228-I232 PolarHBondContact O-N 3.03Å; F228-Y235 HydrophobicContact CB-CD1 4.37Å; F228-Y235 HydrophobicContact CB-CD2 3.42Å; F228-Y235 VanDerWaalsContact CB-CD2 3.42Å; F228-Y235 HydrophobicContact CB-CE1 4.29Å; F228-Y235 HydrophobicContact CB-CE2 3.32Å; F228-Y235 HydrophobicContact CB-CG 3.96Å; F228-Y235 AromaticContact CD2-CE2 3.76Å; F228-Y235 HydrophobicContact CD2-CE2 3.76Å; F228-Y235 HydrophobicContact CG-CD2 4.4Å; F228-Y235 AromaticContact CG-CE2 3.95Å; F228-Y235 HydrophobicContact CG-CE2 3.95Å; F228-R240 HydrophobicContact CD2-CG 4.33Å; F228-R240 HydrophobicContact CE2-CG 4.22Å; F228-L243 HydrophobicContact CD1-CB 4.42Å; F228-L243 HydrophobicContact CD2-CB 4.04Å; F228-L243 HydrophobicContact CD2-CD1 4.29Å; F228-L243 HydrophobicContact CE1-CB 4.16Å; F228-L243 HydrophobicContact CE2-CB 3.72Å; F228-L243 HydrophobicContact CG-CB 4.39Å; F228-L243 HydrophobicContact CG-CD1 4.31Å; F228-L243 HydrophobicContact CZ-CB 3.8Å; F228-A244 HydrophobicContact CE2-CB 4.3Å; F228-A244 HydrophobicContact CZ-CB 4.26Å; F228-I247 HydrophobicContact CD1-CD1 4.12Å; F228-I247 HydrophobicContact CE1-CB 4.42Å; F228-I247 HydrophobicContact CE1-CD1 3.78Å; F228-L248 HydrophobicContact CZ-CD1 4.36Å
229H92.8Very high90.9Very high130 Ų13080.7 Ų80.760%0.60240%0.403SS*.Hα-helixtrans-61.8-34172.3-164.770.9000111.9D225 Y235D225-H229 WeakPolarHBondContact O-CB 3.3Å; D225-H229 PolarHBondContact O-N 3.03Å; H229-Y235 HydrophobicContact CB-CD1 4.05Å
230N91.4Very high90.8Very high124 Ų12477.1 Ų77.166%0.66339%0.386SS*.Hα-helixtrans-78.1-22.7174.8-67.5-31.1000113.5T226 L227 F228T226-N230 VanDerWaalsContact O-CG 3.27Å; T226-N230 PolarHBondContact O-N 2.71Å; T226-N230 PolarHBondContact O-ND2 3.25Å; L227-N230 PolarHBondContact O-N 2.95Å; F228-N230 PolarHBondContact O-N 3.1Å
231L90.3Very high90.6Very high53 Ų5376.4 Ų76.428%0.27738%0.383SS..Hα-helixtrans-94.8-30.2-177.3-67.5171.3000113.8L227 F228 L355L227-L231 HydrophobicContact CD1-CD1 4Å; L227-L231 HydrophobicContact CG-CD1 3.83Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 3.27Å; L227-L231 VanDerWaalsContact O-N 3.16Å; F228-L231 HydrophobicContact CD1-CD1 4.32Å; F228-L231 PolarHBondContact O-N 3.35Å; F228-L231 VanDerWaalsContact O-N 3.12Å; L231-L355 HydrophobicContact CD2-CD1 3.47Å; L231-L355 VanDerWaalsContact CD2-CD1 3.47Å; L231-L355 HydrophobicContact CD2-CG 4.16Å
232I89.3Confident90.4Very high57 Ų5778.4 Ų78.429%0.29240%0.4SS..  trans-126.8117.3-169.7-57.6171000109.5F228 N234 Y235 L243F228-I232 PolarHBondContact O-N 3.03Å; I232-N234 PolarHBondContact O-N 3.35Å; I232-N234 VanDerWaalsContact O-N 3.14Å; I232-Y235 WeakPolarHBondContact O-CB 3.34Å; I232-Y235 PolarHBondContact O-N 3.07Å; I232-L243 HydrophobicContact CD1-CD1 3.62Å; I232-L243 HydrophobicContact CD1-CD2 3.69Å; I232-L243 HydrophobicContact CD1-CG 4.29Å
233E85.4Confident90.2Very high162 Ų16273.1 Ų73.176%0.75738%0.382SS*.THydrogen-bonded Turntrans-59.6-27.6-174.7-65.5176.5178.700114.6
234N89.1Confident89.9Confident140 Ų14069.9 Ų69.975%0.74936%0.363SS*.THydrogen-bonded Turntrans-120.345.4177.7-63.7-64000111.4I232 E236I232-N234 PolarHBondContact O-N 3.35Å; I232-N234 VanDerWaalsContact O-N 3.14Å; N234-E236 PolarHBondContact O-N 2.7Å
235Y92.4Very high89.6Confident29 Ų2971.4 Ų71.411%0.11437%0.373CS..  trans-64.3131.3178.5177.7-111.2000112D225 F228 H229 I232 R240 L243D225-Y235 HydrophobicContact CB-CE1 4.13Å; D225-Y235 WeakPolarHBondContact OD1-CE1 3.45Å; D225-Y235 PolarHBondContact OD1-OH 3.45Å; F228-Y235 HydrophobicContact CB-CD1 4.37Å; F228-Y235 HydrophobicContact CB-CD2 3.42Å; F228-Y235 VanDerWaalsContact CB-CD2 3.42Å; F228-Y235 HydrophobicContact CB-CE1 4.29Å; F228-Y235 HydrophobicContact CB-CE2 3.32Å; F228-Y235 HydrophobicContact CB-CG 3.96Å; F228-Y235 AromaticContact CD2-CE2 3.76Å; F228-Y235 HydrophobicContact CD2-CE2 3.76Å; F228-Y235 HydrophobicContact CG-CD2 4.4Å; F228-Y235 AromaticContact CG-CE2 3.95Å; F228-Y235 HydrophobicContact CG-CE2 3.95Å; H229-Y235 HydrophobicContact CB-CD1 4.05Å; I232-Y235 WeakPolarHBondContact O-CB 3.34Å; I232-Y235 PolarHBondContact O-N 3.07Å; Y235-R240 WeakPolarHBondContact OH-CB 3.43Å; Y235-R240 WeakPolarHBondContact OH-CG 3.5Å; Y235-L243 HydrophobicContact CD2-CD1 3.79Å; Y235-L243 HydrophobicContact CE2-CD1 3.65Å
236E90.1Very high89.3Confident94 Ų9477 Ų7744%0.43940%0.398SS..  trans-123.3135.5167.7-65.5-171.9-128.700110N234 K238 F239N234-E236 PolarHBondContact O-N 2.7Å; E236-K238 HydrophobicContact CB-CD 4.38Å; E236-K238 HydrophobicContact CB-CG 3.98Å; E236-K238 VanDerWaalsContact CD-CE 3.42Å; E236-K238 PolarHBondContact O-N 2.92Å; E236-K238 IonicContact OE1-NZ 2.78Å; E236-K238 PolarHBondContact OE1-NZ 3.5Å; E236-K238 VanDerWaalsContact OE2-CD 3.24Å; E236-K238 WeakPolarHBondContact OE2-CD 3.36Å; E236-K238 WeakPolarHBondContact OE2-CE 3.37Å; E236-K238 IonicContact OE2-NZ 3.34Å; E236-K238 PolarHBondContact OE2-NZ 2.86Å; E236-F239 HydrophobicContact CB-CD2 3.89Å; E236-F239 HydrophobicContact CB-CE2 4.13Å; E236-F239 HydrophobicContact CG-CE2 4.49Å; E236-F239 PolarHBondContact O-N 3.25Å
237A88.5Confident89Confident56 Ų5677.1 Ų77.146%0.46339%0.394SS..G310 helixtrans-57.6-19.5-178.500000114.2F239 R240A237-F239 PolarHBondContact O-N 3.43Å; A237-R240 WeakPolarHBondContact O-CB 3.38Å; A237-R240 PolarHBondContact O-N 3.39Å
238K88.8Confident88.6Confident116 Ų11677.8 Ų77.850%0.50440%0.398SS..G310 helixtrans-64.7-23174.172.9-171.4-176.5-1550113.3E236E236-K238 HydrophobicContact CB-CD 4.38Å; E236-K238 HydrophobicContact CB-CG 3.98Å; E236-K238 VanDerWaalsContact CD-CE 3.42Å; E236-K238 PolarHBondContact O-N 2.92Å; E236-K238 IonicContact OE1-NZ 2.78Å; E236-K238 PolarHBondContact OE1-NZ 3.5Å; E236-K238 VanDerWaalsContact OE2-CD 3.24Å; E236-K238 WeakPolarHBondContact OE2-CD 3.36Å; E236-K238 WeakPolarHBondContact OE2-CE 3.37Å; E236-K238 IonicContact OE2-NZ 3.34Å; E236-K238 PolarHBondContact OE2-NZ 2.86Å
239F86.9Confident88.1Confident95 Ų9580.8 Ų80.842%0.41743%0.428SS..G310 helixtrans-95.7-3.2179-58.9-59.7000113.1E236 A237 D241 S242 L243E236-F239 HydrophobicContact CB-CD2 3.89Å; E236-F239 HydrophobicContact CB-CE2 4.13Å; E236-F239 HydrophobicContact CG-CE2 4.49Å; E236-F239 PolarHBondContact O-N 3.25Å; A237-F239 PolarHBondContact O-N 3.43Å; F239-D241 PolarHBondContact O-N 2.86Å; F239-S242 WeakPolarHBondContact O-CB 3.4Å; F239-S242 PolarHBondContact O-N 2.94Å; F239-S242 VanDerWaalsContact O-N 3.16Å; F239-L243 HydrophobicContact CB-CD1 3.87Å; F239-L243 HydrophobicContact CB-CG 4.21Å; F239-L243 WeakPolarHBondContact O-CB 3.33Å; F239-L243 WeakPolarHBondContact O-CG 3.43Å; F239-L243 PolarHBondContact O-N 3.06Å
240R89.1Confident87.4Confident33 Ų3378.5 Ų78.513%0.12542%0.42CS..Hα-helixtrans-49.2-53.9-175.3-173.4179.850.4-119.7-8.9112.6H221 L224 D225 F228 Y235 A237 S242 L243 A244H221-R240 PolarHBondContact ND1-NH2 3.25Å; H221-R240 VanDerWaalsContact ND1-NH2 3.19Å; L224-R240 HydrophobicContact CB-CG 3.94Å; L224-R240 HydrophobicContact CD1-CG 4.31Å; D225-R240 WeakPolarHBondContact OD1-CD 3.17Å; D225-R240 IonicContact OD1-NH1 2.86Å; D225-R240 PolarHBondContact OD1-NH1 2.73Å; D225-R240 IonicContact OD2-CZ 3.75Å; D225-R240 IonicContact OD2-NH1 3.96Å; D225-R240 PolarHBondContact OD2-NH1 3.41Å; F228-R240 HydrophobicContact CD2-CG 4.33Å; F228-R240 HydrophobicContact CE2-CG 4.22Å; Y235-R240 WeakPolarHBondContact OH-CB 3.43Å; Y235-R240 WeakPolarHBondContact OH-CG 3.5Å; A237-R240 WeakPolarHBondContact O-CB 3.38Å; A237-R240 PolarHBondContact O-N 3.39Å; R240-S242 VanDerWaalsContact C-N 3.33Å; R240-S242 PolarHBondContact O-N 2.75Å; R240-L243 PolarHBondContact O-N 2.9Å; R240-A244 VanDerWaalsContact O-CB 3.24Å; R240-A244 WeakPolarHBondContact O-CB 3.31Å; R240-A244 PolarHBondContact O-N 3.19Å
241D85.7Confident86.5Confident64 Ų6477.3 Ų77.334%0.34242%0.422SS..Hα-helixtrans-69.7-34.9-173.6-57.7-16.2000111.3F239 T245F239-D241 PolarHBondContact O-N 2.86Å; D241-T245 WeakPolarHBondContact O-CB 3.28Å; D241-T245 PolarHBondContact O-N 3.32Å; D241-T245 PolarHBondContact O-OG1 3.39Å
242S86.8Confident85.2Confident73 Ų7378.5 Ų78.551%0.5143%0.434SS..Hα-helixtrans-64.7-46.3173-57.80000111.4F239 R240 T245 E246F239-S242 WeakPolarHBondContact O-CB 3.4Å; F239-S242 PolarHBondContact O-N 2.94Å; F239-S242 VanDerWaalsContact O-N 3.16Å; R240-S242 VanDerWaalsContact C-N 3.33Å; R240-S242 PolarHBondContact O-N 2.75Å; S242-T245 WeakPolarHBondContact O-CB 3.45Å; S242-T245 PolarHBondContact O-N 2.89Å; S242-E246 WeakPolarHBondContact O-CB 3.37Å; S242-E246 PolarHBondContact O-N 2.89Å
243L88.2Confident83.8Confident25 Ų2585.8 Ų85.813%0.13146%0.458CS..Hα-helixtrans-68.4-38.7178.8-71.5167.7000112.1F228 I232 Y235 F239 R240 T245 E246 I247F228-L243 HydrophobicContact CD1-CB 4.42Å; F228-L243 HydrophobicContact CD2-CB 4.04Å; F228-L243 HydrophobicContact CD2-CD1 4.29Å; F228-L243 HydrophobicContact CE1-CB 4.16Å; F228-L243 HydrophobicContact CE2-CB 3.72Å; F228-L243 HydrophobicContact CG-CB 4.39Å; F228-L243 HydrophobicContact CG-CD1 4.31Å; F228-L243 HydrophobicContact CZ-CB 3.8Å; I232-L243 HydrophobicContact CD1-CD1 3.62Å; I232-L243 HydrophobicContact CD1-CD2 3.69Å; I232-L243 HydrophobicContact CD1-CG 4.29Å; Y235-L243 HydrophobicContact CD2-CD1 3.79Å; Y235-L243 HydrophobicContact CE2-CD1 3.65Å; F239-L243 HydrophobicContact CB-CD1 3.87Å; F239-L243 HydrophobicContact CB-CG 4.21Å; F239-L243 WeakPolarHBondContact O-CB 3.33Å; F239-L243 WeakPolarHBondContact O-CG 3.43Å; F239-L243 PolarHBondContact O-N 3.06Å; R240-L243 PolarHBondContact O-N 2.9Å; L243-T245 PolarHBondContact O-N 3.41Å; L243-E246 PolarHBondContact O-N 3.36Å; L243-I247 HydrophobicContact CB-CD1 4.3Å; L243-I247 HydrophobicContact CD2-CD1 4Å; L243-I247 VanDerWaalsContact O-CB 3.25Å; L243-I247 WeakPolarHBondContact O-CB 3.45Å; L243-I247 WeakPolarHBondContact O-CG1 3.13Å; L243-I247 PolarHBondContact O-N 2.87Å
244A87.9Confident82.6Confident5 Ų581.7 Ų81.74%0.04144%0.441CS..Hα-helixtrans-59.6-37.6171.800000111.6L224 F228 R240 L248 G249 L250L224-A244 HydrophobicContact CD1-CB 4.08Å; F228-A244 HydrophobicContact CE2-CB 4.3Å; F228-A244 HydrophobicContact CZ-CB 4.26Å; R240-A244 VanDerWaalsContact O-CB 3.24Å; R240-A244 WeakPolarHBondContact O-CB 3.31Å; R240-A244 PolarHBondContact O-N 3.19Å; A244-L248 CarbonylContact O-C 3.52Å; A244-L248 WeakPolarHBondContact O-CA 3.27Å; A244-L248 WeakPolarHBondContact O-CB 3.3Å; A244-L248 PolarHBondContact O-N 2.93Å; A244-L248 VanDerWaalsContact O-N 3.16Å; A244-G249 PolarHBondContact O-N 2.97Å; A244-L250 HydrophobicContact CB-CB 4.32Å; A244-L250 HydrophobicContact CB-CD1 4.05Å; A244-L250 PolarHBondContact O-N 3.42Å; A244-L250 VanDerWaalsContact O-N 3.07Å
245T86.9Confident81.5Confident49 Ų4977.7 Ų77.730%0.30142%0.423SS..Hα-helixtrans-71.5-43175.3-510000112.4D241 S242 L243 G249 L250 S252D241-T245 WeakPolarHBondContact O-CB 3.28Å; D241-T245 PolarHBondContact O-N 3.32Å; D241-T245 PolarHBondContact O-OG1 3.39Å; S242-T245 WeakPolarHBondContact O-CB 3.45Å; S242-T245 PolarHBondContact O-N 2.89Å; L243-T245 PolarHBondContact O-N 3.41Å; T245-G249 VanDerWaalsContact O-CA 3.27Å; T245-G249 WeakPolarHBondContact O-CA 3.2Å; T245-G249 PolarHBondContact O-N 2.93Å; T245-L250 WeakPolarHBondContact CA-O 3.35Å; T245-L250 VanDerWaalsContact CB-O 3.31Å; T245-L250 WeakPolarHBondContact CB-O 3.4Å; T245-L250 WeakPolarHBondContact CG2-O 3.47Å; T245-L250 PolarHBondContact OG1-O 2.84Å; T245-S252 VanDerWaalsContact OG1-CB 3.3Å; T245-S252 WeakPolarHBondContact OG1-CB 3.22Å; T245-S252 PolarHBondContact OG1-N 3.44Å
246E86.2Confident80.2Confident157 Ų15784.4 Ų84.473%0.73445%0.453SS*.Hα-helixtrans-75.1-44.7-175.6-173.3176.8178.100112.8S242 L243S242-E246 WeakPolarHBondContact O-CB 3.37Å; S242-E246 PolarHBondContact O-N 2.89Å; L243-E246 PolarHBondContact O-N 3.36Å
247I85.4Confident78.7Confident88 Ų8885.3 Ų85.345%0.45147%0.468SS..Hα-helixtrans-89.1-44.8-172.8-60173.6000111.3F228 L243F228-I247 HydrophobicContact CD1-CD1 4.12Å; F228-I247 HydrophobicContact CE1-CB 4.42Å; F228-I247 HydrophobicContact CE1-CD1 3.78Å; L243-I247 HydrophobicContact CB-CD1 4.3Å; L243-I247 HydrophobicContact CD2-CD1 4Å; L243-I247 VanDerWaalsContact O-CB 3.25Å; L243-I247 WeakPolarHBondContact O-CB 3.45Å; L243-I247 WeakPolarHBondContact O-CG1 3.13Å; L243-I247 PolarHBondContact O-N 2.87Å
248L86.2Confident77.5Confident84 Ų8489.7 Ų89.744%0.4448%0.483SS..Hα-helixtrans-101.4-5.4-173.6-56.7174.9000113L224 L227 F228 A244 L250L224-L248 HydrophobicContact CD2-CD1 3.4Å; L224-L248 VanDerWaalsContact CD2-CD1 3.4Å; L227-L248 HydrophobicContact CD2-CD1 4.4Å; F228-L248 HydrophobicContact CZ-CD1 4.36Å; A244-L248 CarbonylContact O-C 3.52Å; A244-L248 WeakPolarHBondContact O-CA 3.27Å; A244-L248 WeakPolarHBondContact O-CB 3.3Å; A244-L248 PolarHBondContact O-N 2.93Å; A244-L248 VanDerWaalsContact O-N 3.16Å; L248-L250 HydrophobicContact CB-CD1 4.18Å; L248-L250 HydrophobicContact CB-CG 3.91Å; L248-L250 HydrophobicContact CD1-CD1 4.03Å; L248-L250 PolarHBondContact O-N 2.96Å
249G83Confident76.6Confident62 Ų6285.3 Ų85.364%0.63947%0.467SS*.  trans66.516.9-175.600000113.7A244 T245 S251A244-G249 PolarHBondContact O-N 2.97Å; T245-G249 VanDerWaalsContact O-CA 3.27Å; T245-G249 WeakPolarHBondContact O-CA 3.2Å; T245-G249 PolarHBondContact O-N 2.93Å; G249-S251 PolarHBondContact O-N 3.39Å
250L77.3Confident75.3Confident83 Ų8386.8 Ų86.844%0.43548%0.479SS..  trans-70.2126.3177.5-64.9176.6000109A244 T245 L248 S252A244-L250 HydrophobicContact CB-CB 4.32Å; A244-L250 HydrophobicContact CB-CD1 4.05Å; A244-L250 PolarHBondContact O-N 3.42Å; A244-L250 VanDerWaalsContact O-N 3.07Å; T245-L250 WeakPolarHBondContact CA-O 3.35Å; T245-L250 VanDerWaalsContact CB-O 3.31Å; T245-L250 WeakPolarHBondContact CB-O 3.4Å; T245-L250 WeakPolarHBondContact CG2-O 3.47Å; T245-L250 PolarHBondContact OG1-O 2.84Å; L248-L250 HydrophobicContact CB-CD1 4.18Å; L248-L250 HydrophobicContact CB-CG 3.91Å; L248-L250 HydrophobicContact CD1-CD1 4.03Å; L248-L250 PolarHBondContact O-N 2.96Å; L250-S252 PolarHBondContact O-N 3.16Å; L250-S252 VanDerWaalsContact O-N 3.12Å
251S72.8Confident73.9Confident99 Ų9991 Ų9169%0.69250%0.499SS*.  trans-62.5120.4179.458.60000111.2G249 R253G249-S251 PolarHBondContact O-N 3.39Å; S251-R253 PolarHBondContact O-N 3.27Å; S251-R253 VanDerWaalsContact O-N 3.13Å
252S63.9Low72.9Confident78 Ų7889.7 Ų89.755%0.54549%0.494SS..  trans-60.7-16.7170.655.50000114.1T245 L250 L254T245-S252 VanDerWaalsContact OG1-CB 3.3Å; T245-S252 WeakPolarHBondContact OG1-CB 3.22Å; T245-S252 PolarHBondContact OG1-N 3.44Å; L250-S252 PolarHBondContact O-N 3.16Å; L250-S252 VanDerWaalsContact O-N 3.12Å; S252-L254 PolarHBondContact O-N 2.9Å; S252-L254 VanDerWaalsContact O-N 3.11Å
253R58.5Low71.7Confident210 Ų21088.7 Ų88.779%0.79249%0.487SS*.  trans-73.3107.1-178.7-67.5-164.5177.7-157.21.2110.3S251 C255S251-R253 PolarHBondContact O-N 3.27Å; S251-R253 VanDerWaalsContact O-N 3.13Å; R253-C255 PolarHBondContact O-N 2.9Å
254L61.4Low70.1Confident75 Ų7591.5 Ų91.539%0.39350%0.502SS..  trans-64.379165.8-67.2162.3000109.6S252 L266S252-L254 PolarHBondContact O-N 2.9Å; S252-L254 VanDerWaalsContact O-N 3.11Å; L254-L266 HydrophobicContact CD1-CD2 4.03Å
255C65.6Low68.4Low56 Ų5692.8 Ų92.838%0.37851%0.508SS..SBendtrans56.4-178.2178.8-155.60000114.3R253 C259 C262R253-C255 PolarHBondContact O-N 2.9Å; C255-C259 HydrophobicContact CB-CB 3.62Å; C255-C259 WeakPolarHBondContact CB-SG 3.37Å; C255-C259 WeakPolarHBondContact SG-CB 3.46Å; C255-C259 CovalentContact SG-SG 2.07Å; C255-C259 PolarHBondContact SG-SG 3.5Å; C255-C262 HydrophobicContact CB-CB 3.6Å; C255-C262 WeakPolarHBondContact CB-SG 3.37Å
256F64.3Low66.9Low170 Ų17091.6 Ų91.675%0.74650%0.5SS*.  trans-67.4147.3167.6-68.1-83.9000109.7D258 C259F256-D258 PolarHBondContact O-N 2.7Å; F256-D258 VanDerWaalsContact O-N 3.11Å; F256-C259 WeakPolarHBondContact O-CB 3.28Å; F256-C259 PolarHBondContact O-N 3.08Å
257P59.8Low65.2Low114 Ų11487.4 Ų87.474%0.7449%0.485SS*.THydrogen-bonded Turntrans-59.1-25.4179.123.4-33.4000113.4C259P257-C259 VanDerWaalsContact C-N 3.29Å; P257-C259 PolarHBondContact O-N 3.03Å
258D63Low63.3Low148 Ų14892.5 Ų92.579%0.79150%0.498SS*.THydrogen-bonded Turntrans-90.615.3177.8-55.6-45.3000113.3F256 D260F256-D258 PolarHBondContact O-N 2.7Å; F256-D258 VanDerWaalsContact O-N 3.11Å; D258-D260 PolarHBondContact O-N 3.17Å; D258-D260 VanDerWaalsContact O-N 3.15Å
259C69.6Low61.3Low24 Ų2494.8 Ų94.816%0.16251%0.511CS..  trans-8195.3-177.2-173.70000110.5C255 F256 P257 F261 C262 S263C255-C259 HydrophobicContact CB-CB 3.62Å; C255-C259 WeakPolarHBondContact CB-SG 3.37Å; C255-C259 WeakPolarHBondContact SG-CB 3.46Å; C255-C259 CovalentContact SG-SG 2.07Å; C255-C259 PolarHBondContact SG-SG 3.5Å; F256-C259 WeakPolarHBondContact O-CB 3.28Å; F256-C259 PolarHBondContact O-N 3.08Å; P257-C259 VanDerWaalsContact C-N 3.29Å; P257-C259 PolarHBondContact O-N 3.03Å; C259-F261 PolarHBondContact O-N 2.97Å; C259-C262 HydrophobicContact CB-CB 4.2Å; C259-C262 PolarHBondContact O-N 3.21Å; C259-S263 PolarHBondContact O-N 3.38Å; C259-S263 PolarHBondContact O-OG 2.95Å
260D60.4Low59.6Low125 Ų12593.7 Ų93.767%0.66849%0.489SS*.Hα-helixtrans-49.6-31176.6-73.2-26.1000113.2D258D258-D260 PolarHBondContact O-N 3.17Å; D258-D260 VanDerWaalsContact O-N 3.15Å
261F59.6Low57.8Low123 Ų12395.2 Ų95.254%0.53949%0.489SS..Hα-helixtrans-72.9-41.9178.5-78.7-87.9000113.2C259 L265C259-F261 PolarHBondContact O-N 2.97Å; F261-L265 WeakPolarHBondContact O-CD1 3.49Å; F261-L265 VanDerWaalsContact O-CG 3.28Å; F261-L265 WeakPolarHBondContact O-CG 3.45Å; F261-L265 PolarHBondContact O-N 3.36Å
262C65.1Low56.3Low35 Ų3596.7 Ų96.724%0.23648%0.481CS..Hα-helixtrans-82.1-33.3-176.6-70.70000112.6C255 C259 D264 L265 L266C255-C262 HydrophobicContact CB-CB 3.6Å; C255-C262 WeakPolarHBondContact CB-SG 3.37Å; C259-C262 HydrophobicContact CB-CB 4.2Å; C259-C262 PolarHBondContact O-N 3.21Å; C262-D264 PolarHBondContact O-N 2.91Å; C262-L265 PolarHBondContact O-N 2.96Å; C262-L266 WeakPolarHBondContact O-CD1 3.46Å; C262-L266 PolarHBondContact O-N 2.94Å
263S60Low55.3Low53 Ų53101.3 Ų101.337%0.37149%0.486SS..Hα-helixtrans-54.3-35.2172.1-63.80000112.7C259 R271C259-S263 PolarHBondContact O-N 3.38Å; C259-S263 PolarHBondContact O-OG 2.95Å; S263-R271 PolarHBondContact O-NE 3.45Å; S263-R271 PolarHBondContact O-NH2 3.37Å
264D54.6Low54.8Low83 Ų8394 Ų9444%0.44447%0.465SS..Hα-helixtrans-80.9-30.3177.5-81.6-11.2000114K210 C262K210-D264 IonicContact NZ-OD2 3.74Å; K210-D264 PolarHBondContact NZ-OD2 3.03Å; C262-D264 PolarHBondContact O-N 2.91Å
265L53.7Low53.9Low33 Ų3397 Ų9717%0.17348%0.477CS..Hα-helixtrans-81.9-20.4-179.1-71.2167.8000113.2K210 L213 I214 F261 C262 T267K210-L265 HydrophobicContact CB-CD2 4.35Å; K210-L265 HydrophobicContact CG-CD2 4.47Å; L213-L265 HydrophobicContact CB-CD2 4.33Å; L213-L265 HydrophobicContact CD1-CD1 4.43Å; I214-L265 HydrophobicContact CD1-CD2 4.21Å; I214-L265 HydrophobicContact CG1-CD2 3.69Å; F261-L265 WeakPolarHBondContact O-CD1 3.49Å; F261-L265 VanDerWaalsContact O-CG 3.28Å; F261-L265 WeakPolarHBondContact O-CG 3.45Å; F261-L265 PolarHBondContact O-N 3.36Å; C262-L265 PolarHBondContact O-N 2.96Å; L265-T267 PolarHBondContact O-N 3.42Å
266L54.4Low52.4Low23 Ų2399 Ų9912%0.1248%0.484CS..SBendtrans-60.8108.4167.9-81.2139.9000108.3L254 C262 E270 R271L254-L266 HydrophobicContact CD1-CD2 4.03Å; C262-L266 WeakPolarHBondContact O-CD1 3.46Å; C262-L266 PolarHBondContact O-N 2.94Å; L266-E270 HydrophobicContact CD2-CB 3.45Å; L266-E270 VanDerWaalsContact CD2-CB 3.45Å; L266-R271 HydrophobicContact CB-CG 3.9Å
267T51.5Low51.2Low69 Ų6997.9 Ų97.942%0.42348%0.481SS..  trans-50.4148.1167.7400000108.9L265 D269 E270 R271L265-T267 PolarHBondContact O-N 3.42Å; T267-D269 PolarHBondContact O-N 3.3Å; T267-E270 PolarHBondContact O-N 2.91Å; T267-R271 PolarHBondContact O-N 2.92Å
268R44.6Very low50.2Low195 Ų19598.3 Ų98.374%0.73648%0.477SS*.Hα-helixtrans-49.3-31.4-175.6-164.6-176.7177.5-173.8-0.4112.6Y272R268-Y272 HydrophobicContact CG-CE2 4.37Å; R268-Y272 WeakPolarHBondContact O-CD2 3.47Å; R268-Y272 WeakPolarHBondContact O-CE2 3.39Å
269D43.7Very low49.1Very low133 Ų13397.9 Ų97.971%0.71147%0.474SS*.Hα-helixtrans-68.3-37.2175.1-96.3-33.2000114.7T267 Y272T267-D269 PolarHBondContact O-N 3.3Å; D269-Y272 PolarHBondContact O-N 3.37Å
270E47.2Very low47.4Very low38 Ų38101.9 Ų101.918%0.17850%0.501CS..Hα-helixtrans-79.4-25.3-178.2-68.1-166.6160.600113.2R217 L266 T267 Y272 R273 T274R217-E270 IonicContact CZ-OE1 3.2Å; R217-E270 IonicContact CZ-OE2 3.81Å; R217-E270 IonicContact NH1-OE1 2.7Å; R217-E270 PolarHBondContact NH1-OE1 3.03Å; R217-E270 IonicContact NH1-OE2 2.88Å; R217-E270 PolarHBondContact NH1-OE2 3.03Å; R217-E270 IonicContact NH2-OE1 2.8Å; R217-E270 PolarHBondContact NH2-OE1 3.11Å; R217-E270 IonicContact NH2-OE2 3.56Å; R217-E270 PolarHBondContact NH2-OE2 3.38Å; L266-E270 HydrophobicContact CD2-CB 3.45Å; L266-E270 VanDerWaalsContact CD2-CB 3.45Å; T267-E270 PolarHBondContact O-N 2.91Å; E270-Y272 PolarHBondContact O-N 3.48Å; E270-R273 WeakPolarHBondContact O-CA 3.07Å; E270-R273 PolarHBondContact O-N 2.66Å; E270-T274 PolarHBondContact O-N 3.33Å; E270-T274 VanDerWaalsContact O-N 3.07Å; E270-T274 PolarHBondContact O-OG1 3.46Å; E270-T274 VanDerWaalsContact O-OG1 3.05Å
271R41.2Very low46Very low116 Ų116105 Ų10544%0.43850%0.504SS..Hα-helixtrans-58.7-33.7171.8-65.8-172.9-175169.6-1.2112.1S263 L266 T267 R273 Q275S263-R271 PolarHBondContact O-NE 3.45Å; S263-R271 PolarHBondContact O-NH2 3.37Å; L266-R271 HydrophobicContact CB-CG 3.9Å; T267-R271 PolarHBondContact O-N 2.92Å; R271-R273 VanDerWaalsContact C-N 3.32Å; R271-Q275 PolarHBondContact O-N 3.21Å
272Y39.7Very low44.9Very low130 Ų130104.6 Ų104.651%0.5151%0.513SS..Hα-helixtrans-69.9-29.4173.6-68.3-74.1000112R268 D269 E270 N276R268-Y272 HydrophobicContact CG-CE2 4.37Å; R268-Y272 WeakPolarHBondContact O-CD2 3.47Å; R268-Y272 WeakPolarHBondContact O-CE2 3.39Å; D269-Y272 PolarHBondContact O-N 3.37Å; E270-Y272 PolarHBondContact O-N 3.48Å; Y272-N276 PolarHBondContact O-N 3.35Å; Y272-N276 PolarHBondContact O-ND2 2.91Å
273R43.4Very low43.5Very low174 Ų174108.8 Ų108.866%0.65753%0.533SS*.Hα-helixtrans-76.4-41.9177.9-73.4-165.5173.31760.7112.9E270 R271 N276 H277E270-R273 WeakPolarHBondContact O-CA 3.07Å; E270-R273 PolarHBondContact O-N 2.66Å; R271-R273 VanDerWaalsContact C-N 3.32Å; R273-N276 PolarHBondContact O-N 3.49Å; R273-H277 PolarHBondContact O-CD2 3.18Å; R273-H277 PolarHBondContact O-N 3.28Å
274T47.5Very low42Very low58 Ų58111.2 Ų111.236%0.35655%0.55SS.*Hα-helixtrans-70.1-39.9178.322.50000112.8E270 N276 H277 D278E270-T274 PolarHBondContact O-N 3.33Å; E270-T274 VanDerWaalsContact O-N 3.07Å; E270-T274 PolarHBondContact O-OG1 3.46Å; E270-T274 VanDerWaalsContact O-OG1 3.05Å; T274-N276 VanDerWaalsContact C-N 3.27Å; T274-N276 PolarHBondContact O-N 2.95Å; T274-H277 PolarHBondContact O-N 3.23Å; T274-H277 VanDerWaalsContact O-N 3.15Å; T274-D278 PolarHBondContact O-N 3.27Å
275Q42.9Very low40.9Very low137 Ų137116.6 Ų116.664%0.6457%0.565SS**Hα-helixtrans-62-33.4174.5-88.8-174.5-7.800113.3R271 D278 L279R271-Q275 PolarHBondContact O-N 3.21Å; Q275-D278 PolarHBondContact O-N 2.85Å; Q275-L279 PolarHBondContact O-N 3.39Å
276N35Very low40.3Very low99 Ų99120.9 Ų120.953%0.52960%0.596SS.*Hα-helixtrans-73.3-29176.8-78.1-45.6000112.9Y272 R273 T274Y272-N276 PolarHBondContact O-N 3.35Å; Y272-N276 PolarHBondContact O-ND2 2.91Å; R273-N276 PolarHBondContact O-N 3.49Å; T274-N276 VanDerWaalsContact C-N 3.27Å; T274-N276 PolarHBondContact O-N 2.95Å
277H37.5Very low39.2Very low146 Ų146125 Ų12568%0.67663%0.626SS**Hα-helixtrans-71.2-33.2173.5-86.4-61.4000112.8R273 T274 L279 C280R273-H277 PolarHBondContact O-CD2 3.18Å; R273-H277 PolarHBondContact O-N 3.28Å; T274-H277 PolarHBondContact O-N 3.23Å; T274-H277 VanDerWaalsContact O-N 3.15Å; H277-L279 VanDerWaalsContact C-N 3.35Å; H277-C280 PolarHBondContact O-N 3.07Å
278D40.2Very low38Very low123 Ų123132.7 Ų132.766%0.65865%0.647SS**Hα-helixtrans-72.2-25.6176.4-79.8-32.1000113.5T274 Q275 C280 R281T274-D278 PolarHBondContact O-N 3.27Å; Q275-D278 PolarHBondContact O-N 2.85Å; D278-C280 VanDerWaalsContact C-N 3.28Å; D278-C280 PolarHBondContact O-N 2.64Å; D278-R281 PolarHBondContact O-N 2.75Å
279L39.9Very low37.6Very low138 Ų138131.9 Ų131.972%0.72366%0.657SS**Hα-helixtrans-71.1-21.6173.7-76.1161.6000113.4Q275 H277Q275-L279 PolarHBondContact O-N 3.39Å; H277-L279 VanDerWaalsContact C-N 3.35Å
280C33.4Very low37.1Very low109 Ų109131.4 Ų131.474%0.73666%0.658SS**THydrogen-bonded Turntrans-90.62.5178.7-78.80000113.9H277 D278 P282H277-C280 PolarHBondContact O-N 3.07Å; D278-C280 VanDerWaalsContact C-N 3.28Å; D278-C280 PolarHBondContact O-N 2.64Å; C280-P282 WeakPolarHBondContact O-CD 3.41Å
281R30.7Very low36.2Very low191 Ų191134.3 Ų134.372%0.72168%0.683SS**SBendtrans-90.7116.4168.5-157176.8-174.6-172.1-0.2108.4D278 N283D278-R281 PolarHBondContact O-N 2.75Å; R281-N283 PolarHBondContact O-N 3.05Å
282P36.8Very low35.7Very low113 Ų113138.1 Ų138.173%0.73471%0.706SS**  trans-67.289.6173.926.1-30.8000108.2C280 S284C280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-S284 PolarHBondContact O-N 2.98Å; P282-S284 PolarHBondContact O-OG 3.1Å
283N35.6Very low35.3Very low123 Ų123139.7 Ų139.766%0.65872%0.721SS**  trans-73.299.1-179-142.10.4000107.5R281 Y285R281-N283 PolarHBondContact O-N 3.05Å; N283-Y285 PolarHBondContact O-N 3.05Å
284S28.9Very low34.6Very low105 Ų105137.3 Ų137.373%0.73473%0.728SS**  trans-74.976.2175.6-520000108.3P282P282-S284 PolarHBondContact O-N 2.98Å; P282-S284 PolarHBondContact O-OG 3.1Å
285Y32.3Very low33.7Very low195 Ų195139.3 Ų139.377%0.76575%0.745SS**  trans-135.3113.7166.7-83.2-78.6000109.7N283 S287N283-Y285 PolarHBondContact O-N 3.05Å; Y285-S287 PolarHBondContact O-N 2.78Å
286P40.4Very low33Very low124 Ų124139.7 Ų139.781%0.80575%0.751SS**  trans-84106.2171.731.9-26.3000107.9
287S30.4Very low32.6Very low108 Ų108140.9 Ų140.976%0.75577%0.766SS**  trans-146.791162.6-86.50000112Y285Y285-S287 PolarHBondContact O-N 2.78Å
288R27.4Very low32.2Very low232 Ų232139.2 Ų139.288%0.87577%0.768SS**  trans58.772.2134.9-62.9-174.7169.2-156.8-3116V290R288-V290 PolarHBondContact O-N 2.78Å
289L34.9Very low31.5Very low178 Ų178137.9 Ų137.993%0.93277%0.768SS**  trans-64.5114.8138.6-81.3167.4000108S291L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 2.58Å
290V33.2Very low31.4Very low123 Ų123137.4 Ų137.475%0.74577%0.773SS**  trans-59.396.1167.3171.20000107.8R288 Q292R288-V290 PolarHBondContact O-N 2.78Å; V290-Q292 PolarHBondContact O-N 2.85Å
291S29.2Very low31.2Very low99 Ų99141.4 Ų141.469%0.69278%0.778SS**  trans23.587.8137.347.60000116L289L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 2.58Å
292Q30.7Very low32.1Very low196 Ų196137.2 Ų137.292%0.91678%0.776SS**  trans-109.1135.8142.5-69.7-1711.700108.2V290V290-Q292 PolarHBondContact O-N 2.85Å
293I30.5Very low31.9Very low162 Ų162137.9 Ų137.983%0.83178%0.78SS**  trans-70.5147.3-153.9-70.2160.6000112.5
294P30.2Very low31.5Very low124 Ų124140.5 Ų140.581%0.80579%0.789SS**  trans-86.9148.6-170.935.3-34.1000112.7
295S28.6Very low31.8Very low101 Ų101143.3 Ų143.371%0.70679%0.794SS**  trans-147.1106.3165.6159.20000109.9
296N27.3Very low31.4Very low144 Ų144139.1 Ų139.177%0.7779%0.793SS**  trans62.7105.8145.5-56.5-7.8000118.5
297C25.8Very low30.9Very low125 Ų125139.2 Ų139.285%0.84579%0.791SS**  162.4159.3108-89.30000112.1
298P31Very low30.8Very low110 Ų110139 Ų13971%0.71479%0.79SS**  -100.5161.5-13037.5-36.4000115.6
299S25Very low30.7Very low95 Ų95137.8 Ų137.866%0.66479%0.792SS**  trans-37.9141.5162.245.80000115.9
300P36.5Very low30.5Very low128 Ų128135.6 Ų135.683%0.83179%0.788SS**  trans-117.3138.1134.219.3-1.2000111.6
301F30.3Very low30Very low193 Ų193134.8 Ų134.885%0.84679%0.788SS**  trans-77.5177.8179.7-92.5-90.1000112.6
302P48.5Very low29.9Very low103 Ų103136.3 Ų136.367%0.66979%0.788SS**  trans-101.7-170.6-145.343.2-39.1000114.3
303P33.5Very low29.6Very low127 Ų127134 Ų13483%0.82578%0.782SS**  -150.2165.197.836.3-16.5000117.5
304Q27.4Very low29.8Very low178 Ų178132.6 Ų132.683%0.83278%0.781SS**  trans-64150.6174.2-52176.9-2600114
305I35.1Very low29.6Very low164 Ų164131.6 Ų131.684%0.84178%0.784SS**  trans-152.3124.8132.4-53.7-173.2000109.5
306S24.3Very low29.6Very low108 Ų108137.2 Ų137.276%0.75579%0.789SS**  trans-95.1150.4167.4-55.10000110.6
307T29.7Very low29.4Very low125 Ų125135.8 Ų135.877%0.76779%0.79SS**  trans173.1101.715021.10000108.3
308S27.9Very low29.7Very low105 Ų105137.8 Ų137.873%0.73479%0.792SS**  73.912082.7680000116
309F25.1Very low29.4Very low206 Ų206138 Ų13890%0.90479%0.791SS**  trans-47.8146.9177.9-66.1-97.6000116.8
310P30.7Very low29.4Very low132 Ų132138.5 Ų138.586%0.85780%0.795SS**  trans-89.7128.7159.432.6-26.2000111.2
311S23Very low29.1Very low105 Ų105140.9 Ų140.973%0.73480%0.801SS**  trans-132.1147.8169.3-158.80000108.2
312N26.6Very low28.8Very low131 Ų131135.8 Ų135.870%0.70179%0.794SS**  trans107.5105.2166.5-58.5-9.4000117.6
313D25.1Very low27.7Very low147 Ų147136.4 Ų136.479%0.78680%0.801SS**  48.8107.2116.7-62.5-27.1000118.5
314T34.5Very low27.4Very low134 Ų134140.5 Ų140.582%0.82280%0.801SS**  trans-140.785.7145.1-53.40000109.1R316T314-R316 HydrophobicContact CG2-CB 4.47Å; T314-R316 PolarHBondContact O-N 2.78Å
315A26.6Very low27.3Very low103 Ų103139 Ų13985%0.85180%0.797SS**  trans-70.6108.215600000108.1
316R28.3Very low26.8Very low219 Ų219134 Ų13483%0.82679%0.787SS**  trans-140.798160.8-140.5179-160.1-179.75.2110.1T314 L318T314-R316 HydrophobicContact CG2-CB 4.47Å; T314-R316 PolarHBondContact O-N 2.78Å; R316-L318 PolarHBondContact O-N 2.69Å
317S23.4Very low26.9Very low113 Ų113135.4 Ų135.479%0.7979%0.791SS**  trans-52.2125.2163.2-43.70000110.3
318L32Very low26.8Very low168 Ų168135.1 Ų135.188%0.8879%0.788SS**  trans-124.6111155.9-93.7154.9000107.1R316R316-L318 PolarHBondContact O-N 2.69Å
319T24.3Very low26.9Very low114 Ų114137.4 Ų137.470%0.69979%0.792SS**  trans-67.9143.5177.839.20000112.3
320S24.8Very low26.9Very low106 Ų106135.2 Ų135.274%0.74179%0.79SS**  trans53.1110.1136.2-56.30000118.8
321D29.3Very low26.8Very low178 Ų178134.8 Ų134.895%0.95279%0.785SS**  -137.5130.5127.8-95.5-31.4000110.2
322A24.5Very low26.9Very low85 Ų85139.4 Ų139.470%0.70279%0.792SS**  trans-107.5166.9-178.600000109.8
323S25.8Very low27.2Very low117 Ų117139.1 Ų139.182%0.81880%0.797SS**  trans80.4142.1172.786.10000114.4
324Y26.9Very low27.2Very low213 Ų213138.9 Ų138.984%0.83580%0.796SS**  cis-159.3160.318.2-172.1-102.2000110
325I25Very low26.8Very low145 Ų145142.7 Ų142.774%0.74480%0.795SS**  trans-62.8145.7-179.1-68.4160.2000113.1
326G24.1Very low26.9Very low61 Ų61142.4 Ų142.463%0.62979%0.787SS**  trans132.7119.6133.800000119.4
327V28.3Very low27Very low137 Ų137138.5 Ų138.583%0.8379%0.788SS**  trans82.699141.5-164.60000118.6
328V26.7Very low27.5Very low118 Ų118138.5 Ų138.572%0.71579%0.785SS**  trans17.3107.4130.3-168.80000115.8
329N28.9Very low27.5Very low153 Ų153136.6 Ų136.682%0.81878%0.78SS**  trans-149.9116.6140.5-99.1-15.7000109.9V331N329-V331 PolarHBondContact O-N 2.95Å; N329-V331 VanDerWaalsContact O-N 3.1Å
330N25.4Very low27.8Very low161 Ų161138.2 Ų138.286%0.86179%0.785SS**  trans-60.7102.7166.7-72.4-21.6000109.1
331V29.4Very low27.7Very low122 Ų122144.3 Ų144.374%0.73979%0.791SS**  trans-137.4112.4160.3-1780000107.5N329 P333N329-V331 PolarHBondContact O-N 2.95Å; N329-V331 VanDerWaalsContact O-N 3.1Å; V331-P333 WeakPolarHBondContact O-CD 3.39Å
332F25.9Very low27.7Very low202 Ų202141.6 Ų141.689%0.88679%0.785SS**  trans-45.4124.2165-91.6-101.6000110.7D334F332-D334 PolarHBondContact O-N 3.44Å
333P31.7Very low27.9Very low126 Ų126143.6 Ų143.682%0.81878%0.784SS**  trans-89.198.8161.630.3-23.3000108.7V331V331-P333 WeakPolarHBondContact O-CD 3.39Å
334D24.8Very low28.3Very low142 Ų142145.4 Ų145.476%0.75978%0.784SS**  trans-76.7130.7158.4-167.917.7000109.2F332F332-D334 PolarHBondContact O-N 3.44Å
335R27.7Very low28.4Very low213 Ų213142.9 Ų142.980%0.80478%0.78SS**  trans56124.5154-127.9167.8-176.2170.91.8122.5
336S28Very low28.8Very low97 Ų97142.8 Ų142.868%0.67878%0.781SS**  trans79.6107.8139.561.50000119.6
337T29.4Very low29.2Very low138 Ų138149.9 Ų149.985%0.84779%0.794SS**  -170.2151.1104.923.70000111.1
338P35.1Very low29.6Very low112 Ų112149.1 Ų149.173%0.72779%0.79SS**  trans-97.3-178.5-168.439.1-32.2000112.7
339V30.9Very low30.2Very low128 Ų128147.2 Ų147.278%0.77679%0.787SS**  trans97.7113.3179.7-171.10000110.3
340D31Very low30.7Very low149 Ų149147.1 Ų147.180%0.79779%0.785SS**  cis-148.7145.234.1-122.7-33.8000111.8C342D340-C342 PolarHBondContact O-N 3.2Å
341R23.9Very low31.5Very low233 Ų233146 Ų14688%0.87978%0.777SS**  trans-77.7110.7170.7-79.7177.8171.8169.6-3108.8
342C28.6Very low31.8Very low121 Ų121144.1 Ų144.182%0.81876%0.763SS**  trans-117.6108.8148.1-73.70000108.5D340 D344D340-C342 PolarHBondContact O-N 3.2Å; C342-D344 PolarHBondContact O-N 3.34Å
343N28.3Very low32.3Very low128 Ų128140 Ų14068%0.68476%0.759SS**  trans-61.4105.8166.3-88.5-10.5000108.9
344D34.2Very low32.5Very low155 Ų155136.4 Ų136.483%0.82975%0.745SS**  trans-110.999.9148.1-82.2-36.7000107.8C342 N346C342-D344 PolarHBondContact O-N 3.34Å; D344-N346 PolarHBondContact O-N 3.4Å
345H30.1Very low33.2Very low159 Ų159134.3 Ų134.374%0.73673%0.733SS**  trans-67.981.7169.1-79.8-33.2000109.5
346N32.2Very low33.6Very low144 Ų144131.7 Ų131.777%0.7774%0.735SS**  trans-142.679.8152.7-97.3-23.9000107.1D344 T348D344-N346 PolarHBondContact O-N 3.4Å; N346-T348 PolarHBondContact O-N 2.99Å
347K33Very low34.1Very low209 Ų209135.4 Ų135.491%0.90974%0.742SS**  trans-69.375.7161.6-73.5-178.5177.8-177.70107A349K347-A349 PolarHBondContact O-N 3.14Å
348T36.3Very low34.4Very low121 Ų121138 Ų13874%0.74274%0.738SS**  trans-53.1114.1152.443.70000105.2N346 I350N346-T348 PolarHBondContact O-N 2.99Å; T348-I350 PolarHBondContact O-N 3.04Å
349A39.3Very low34.4Very low78 Ų78140.4 Ų140.465%0.64574%0.744SS**  trans-42.1131.3174.700000108.4K347 I351K347-A349 PolarHBondContact O-N 3.14Å; A349-I351 PolarHBondContact O-N 3.5Å
350I39.2Very low34.8Very low152 Ų152143.5 Ų143.578%0.77975%0.747SS**  trans-63.687.6168.4-60.9167.6000104.2T348 N352T348-I350 PolarHBondContact O-N 3.04Å; I350-N352 VanDerWaalsContact C-N 3.29Å; I350-N352 PolarHBondContact O-N 3.09Å
351I42.2Very low35.1Very low137 Ų137142.1 Ų142.170%0.70375%0.746SS**  trans-65.9102.6169.9-61.1173.9000103.2A349 S353A349-I351 PolarHBondContact O-N 3.5Å; I351-S353 PolarHBondContact O-N 2.93Å
352N35.4Very low35.9Very low83 Ų83136.8 Ų136.844%0.44474%0.735SS.*  trans-49.6111.8177.1-87.1-38.6000108.4I350 G354I350-N352 VanDerWaalsContact C-N 3.29Å; I350-N352 PolarHBondContact O-N 3.09Å; N352-G354 PolarHBondContact O-N 3.14Å
353S37.5Very low36.6Very low114 Ų114135.6 Ų135.680%0.79773%0.726SS**THydrogen-bonded Turntrans-68.420.8-179.247.60000113.7I351I351-S353 PolarHBondContact O-N 2.93Å
354G35.3Very low37Very low51 Ų51133.4 Ų133.453%0.52672%0.72SS.*THydrogen-bonded Turntrans-81.2-11.4174.600000114.4N352 N356N352-G354 PolarHBondContact O-N 3.14Å; G354-N356 VanDerWaalsContact C-N 3.28Å; G354-N356 PolarHBondContact O-N 2.93Å
355L39.6Very low37.3Very low98 Ų98135.4 Ų135.451%0.51372%0.718SS.*G310 helixtrans-71.8-14-177.1-92.5169.7000115.2L231 Q357L231-L355 HydrophobicContact CD2-CD1 3.47Å; L231-L355 VanDerWaalsContact CD2-CD1 3.47Å; L231-L355 HydrophobicContact CD2-CG 4.16Å; L355-Q357 PolarHBondContact O-N 3.26Å
356N35.6Very low38.2Very low158 Ų158133.5 Ų133.585%0.84572%0.717SS**G310 helixtrans-76.40.9178.2-76.6-26000114.1G354G354-N356 VanDerWaalsContact C-N 3.28Å; G354-N356 PolarHBondContact O-N 2.93Å
357Q38.7Very low38.6Very low176 Ų176134.5 Ų134.582%0.82272%0.721SS**G310 helixtrans-118-4.5179.5-70.2-175.216.400115.1L355 L359L355-Q357 PolarHBondContact O-N 3.26Å; Q357-L359 PolarHBondContact O-N 2.88Å; Q357-L359 VanDerWaalsContact O-N 3.16Å
358Y35.2Very low38.9Very low193 Ų193132.3 Ų132.376%0.75772%0.715SS**  trans-84.992.1170.3-87.4-87000109.3F360Y358-F360 PolarHBondContact O-N 2.82Å; Y358-F360 VanDerWaalsContact O-N 3.09Å
359L36.6Very low39.1Very low161 Ų161135.3 Ų135.384%0.84372%0.717SS**  trans-56113.9160.7-8991.3000107.6Q357 P361Q357-L359 PolarHBondContact O-N 2.88Å; Q357-L359 VanDerWaalsContact O-N 3.16Å; L359-P361 WeakPolarHBondContact O-CD 3.45Å
360F38.3Very low39Very low194 Ų194137.2 Ų137.285%0.85172%0.723SS**PPolyproline II helixtrans-52.2124.6165-77.5-91.6000108.5Y358 D362Y358-F360 PolarHBondContact O-N 2.82Å; Y358-F360 VanDerWaalsContact O-N 3.09Å; F360-D362 PolarHBondContact O-N 3.32Å
361P37.5Very low39.1Very low120 Ų120137.6 Ų137.678%0.77973%0.726SS**PPolyproline II helixtrans-61.6132167.7-17.129.9000108.6L359L359-P361 WeakPolarHBondContact O-CD 3.45Å
362D40.3Very low38.9Very low121 Ų121136.3 Ų136.365%0.64773%0.726SS**PPolyproline II helixtrans-49.3131.7-179.1-109.7-37.6000111.3F360 S364F360-D362 PolarHBondContact O-N 3.32Å; D362-S364 PolarHBondContact O-N 2.9Å
363P43.6Very low38.9Very low96 Ų96136.2 Ų136.262%0.62373%0.732SS**G310 helixtrans-68.2-1.8-173.626.3-33.6000114.4Y365P363-Y365 VanDerWaalsContact C-N 3.27Å; P363-Y365 PolarHBondContact O-N 2.96Å
364S37.9Very low38.7Very low81 Ų81141.1 Ų141.157%0.56674%0.735SS**G310 helixtrans-67.9-22.1177.8560000113.9D362D362-S364 PolarHBondContact O-N 2.9Å
365Y39.3Very low38.6Very low197 Ų197145.7 Ų145.777%0.77374%0.742SS**G310 helixtrans-88.9-10.6-177.4-76.9-79.6000115.1P363P363-Y365 VanDerWaalsContact C-N 3.27Å; P363-Y365 PolarHBondContact O-N 2.96Å
366V48.3Very low38.4Very low120 Ų120147.5 Ų147.573%0.72775%0.752SS**THydrogen-bonded Turntrans-88.2-21.7-173.9-177.90000112.5
367L41.9Very low38.3Very low164 Ų164146.2 Ų146.286%0.85975%0.745SS**SBendtrans-90.2-6.5-175.6-79.1166.8000115
368E39.1Very low38.2Very low164 Ų164143.8 Ų143.877%0.76674%0.743SS**SBendtrans-98-7.4-172.4-139.1-177.9-170.500114.5P370E368-P370 WeakPolarHBondContact O-CD 3.37Å
369K40.4Very low38.1Very low184 Ų184142.6 Ų142.680%0.874%0.741SS**SBendtrans-97.3104175.8-120.9173.8-177.81750109.9L371K369-L371 PolarHBondContact O-N 2.97Å
370P36.6Very low37.9Very low118 Ų118141.1 Ų141.177%0.76674%0.735SS**  trans-56.7130.8169.421.7-29.9000108.6E368E368-P370 WeakPolarHBondContact O-CD 3.37Å
371L41.6Very low37.8Very low160 Ų160136.1 Ų136.184%0.83872%0.723SS**  trans-55.2139176.9-69.9167.3000108.9K369 S373K369-L371 PolarHBondContact O-N 2.97Å; L371-S373 PolarHBondContact O-N 3.15Å
372P38.8Very low37.8Very low109 Ų109140.1 Ų140.171%0.70872%0.723SS**  trans-54114.6175.5-20.730.2000108.9Y374P372-Y374 PolarHBondContact O-N 2.65Å
373S34.2Very low37.6Very low81 Ų81142.7 Ų142.757%0.56673%0.731SS**  trans-68.2119.7167.166.30000106.1L371 H375L371-S373 PolarHBondContact O-N 3.15Å; S373-H375 PolarHBondContact O-N 3.09Å; S373-H375 PolarHBondContact OG-CD2 3.1Å; S373-H375 PolarHBondContact OG-NE2 3.24Å
374Y34.3Very low37.2Very low217 Ų217146.1 Ų146.185%0.85174%0.738SS**  trans-67.380.9163.3-70.5-86.7000107P372 N376P372-Y374 PolarHBondContact O-N 2.65Å; Y374-N376 PolarHBondContact O-N 3.48Å
375H33.1Very low37.1Very low147 Ų147150.8 Ų150.868%0.68175%0.751SS**  trans-63.294.3154.8-80.3-72.1000105.4S373 N377S373-H375 PolarHBondContact O-N 3.09Å; S373-H375 PolarHBondContact OG-CD2 3.1Å; S373-H375 PolarHBondContact OG-NE2 3.24Å; H375-N377 PolarHBondContact O-N 3.12Å
376N35.8Very low36.8Very low137 Ų137153.2 Ų153.273%0.73376%0.759SS**  trans-56.299156.3-83.9-12.8000105.3Y374 V378Y374-N376 PolarHBondContact O-N 3.48Å; N376-V378 HydrophobicContact CB-CG2 4.15Å; N376-V378 PolarHBondContact O-N 3.29Å
377N33.5Very low36.3Very low130 Ų130153 Ų15370%0.69576%0.758SS**  trans-60.682.5161.2-72.5-26.2000105.7H375 F379H375-N377 PolarHBondContact O-N 3.12Å; N377-F379 HydrophobicContact CB-CD2 4.18Å; N377-F379 HydrophobicContact CB-CE2 4.08Å; N377-F379 PolarHBondContact O-N 3Å
378V36.4Very low35.9Very low126 Ų126155.4 Ų155.476%0.76476%0.755SS**  trans-70.783.1167.3-178.20000104.3N376 D380N376-V378 HydrophobicContact CB-CG2 4.15Å; N376-V378 PolarHBondContact O-N 3.29Å; V378-D380 PolarHBondContact O-N 3.06Å
379F32.2Very low35.8Very low167 Ų167155.1 Ų155.173%0.73276%0.758SS**  trans-50.6127.7163.5-85-86.6000107.3N377 S381N377-F379 HydrophobicContact CB-CD2 4.18Å; N377-F379 HydrophobicContact CB-CE2 4.08Å; N377-F379 PolarHBondContact O-N 3Å; F379-S381 PolarHBondContact O-N 3.29Å
380D33.1Very low35.5Very low131 Ų131152.4 Ų152.470%0.70175%0.753SS**  trans-62.267.9-179.2-166.916.7000110.7V378 R382V378-D380 PolarHBondContact O-N 3.06Å; D380-R382 PolarHBondContact O-N 2.91Å
381S35.1Very low35.3Very low88 Ų88152.4 Ų152.462%0.61576%0.755SS**  trans-87.492173.4-73.30000107.5F379 H383F379-S381 PolarHBondContact O-N 3.29Å; S381-H383 PolarHBondContact O-N 3.23Å
382R39.2Very low35.2Very low204 Ų204151.5 Ų151.577%0.7776%0.756SS**  trans-62.539.2176.3-60.7-173-164.4171.76.3114.5D380D380-R382 PolarHBondContact O-N 2.91Å
383H35.2Very low34.7Very low175 Ų175150.8 Ų150.881%0.8175%0.754SS**  trans-155.578.7173.9-70.8-56.1000111.3S381S381-H383 PolarHBondContact O-N 3.23Å
384H36.2Very low34.7Very low168 Ų168154.3 Ų154.378%0.77877%0.766SS**  trans-127.398156.3-82.4-63.1000110.1
385E34.6Very low34.5Very low180 Ų180151.4 Ų151.484%0.84176%0.76SS**  trans-44.5143156.6-169.3174.2-176.400109.8V387E385-V387 VanDerWaalsContact C-N 3.34Å; E385-V387 PolarHBondContact O-N 2.76Å
386R34.3Very low34.5Very low247 Ų247152.4 Ų152.493%0.93276%0.762SS**  trans-60.189.2-174.4-63.5176179.6129.6-1.9110.8R388R386-R388 PolarHBondContact O-N 3.29Å
387V37Very low34.5Very low116 Ų116150.7 Ų150.770%0.70376%0.759SS**  trans-74.9110.8171.5-179.10000107.6E385 L389E385-V387 VanDerWaalsContact C-N 3.34Å; E385-V387 PolarHBondContact O-N 2.76Å; V387-L389 PolarHBondContact O-N 3.1Å
388R33.9Very low34.7Very low214 Ų214152.4 Ų152.481%0.80876%0.763SS**  trans-60.5121.2166.5-91-178.814791.6-1.3107.8R386 D390R386-R388 PolarHBondContact O-N 3.29Å; R388-D390 PolarHBondContact O-N 2.92Å
389L35.5Very low34.7Very low159 Ų159153.9 Ų153.983%0.83277%0.766SS**  trans-73.575.6170.6-67.5169.9000108.9V387 S391V387-L389 PolarHBondContact O-N 3.1Å; L389-S391 PolarHBondContact O-N 3.14Å
390D35.7Very low35Very low127 Ų127152.7 Ų152.768%0.67977%0.767SS**  trans-76.6115163.6-66-18000106.8R388 T392R388-D390 PolarHBondContact O-N 2.92Å; D390-T392 VanDerWaalsContact C-N 3.31Å; D390-T392 PolarHBondContact O-N 2.99Å
391S32.4Very low35.4Very low118 Ų118153.4 Ų153.483%0.82577%0.771SS**THydrogen-bonded Turntrans-74.263.8-163.7-43.80000113.8L389L389-S391 PolarHBondContact O-N 3.14Å
392T37.8Very low35.4Very low140 Ų140160.3 Ų160.386%0.85979%0.785SS**THydrogen-bonded Turntrans-154.118.7167.557.40000116.1D390D390-T392 VanDerWaalsContact C-N 3.31Å; D390-T392 PolarHBondContact O-N 2.99Å
393S29.3Very low35.4Very low94 Ų94153.6 Ų153.666%0.65777%0.773SS**  trans-140.468.4177-158.70000113.1
394L35.2Very low35.4Very low155 Ų155150.9 Ų150.981%0.81276%0.764SS**  trans-93.690.5150.4-88.1159.3000105.8F396L394-F396 VanDerWaalsContact C-N 3.33Å; L394-F396 PolarHBondContact O-N 2.86Å
395H29.4Very low35.5Very low157 Ų157148.5 Ų148.573%0.72777%0.765SS**  trans-64.1100.8162-101.1-68.2000106.8
396F33.8Very low35.5Very low167 Ų167145.4 Ų145.473%0.73276%0.759SS**  trans-62.2128.6157.8-72-86.7000106.7L394 E398L394-F396 VanDerWaalsContact C-N 3.33Å; L394-F396 PolarHBondContact O-N 2.86Å; F396-E398 PolarHBondContact O-N 3.1Å; F396-E398 VanDerWaalsContact O-N 3.15Å
397P34.4Very low35.6Very low102 Ų102137 Ų13766%0.66274%0.742SS**  trans-58.8121.4169.922.5-29.2000108.2D399P397-D399 PolarHBondContact O-N 2.9Å
398E38.8Very low35.6Very low166 Ų166138.8 Ų138.878%0.77675%0.748SS**SBendtrans-66.314.3-177.7-79.9173.5146.800114.2F396 L400F396-E398 PolarHBondContact O-N 3.1Å; F396-E398 VanDerWaalsContact O-N 3.15Å; E398-L400 VanDerWaalsContact C-N 3.35Å; E398-L400 PolarHBondContact O-N 3.19Å
399D34.8Very low35.7Very low156 Ų156135.7 Ų135.783%0.83475%0.747SS**THydrogen-bonded Turntrans-93.319.8-174.5-70.2-30000114.3P397P397-D399 PolarHBondContact O-N 2.9Å
400L39.7Very low35.7Very low142 Ų142134.4 Ų134.474%0.74374%0.74SS**THydrogen-bonded Turntrans-110.710.5174.8-91.4150.7000114.3E398 Y402E398-L400 VanDerWaalsContact C-N 3.35Å; E398-L400 PolarHBondContact O-N 3.19Å; L400-Y402 PolarHBondContact O-N 3.21Å
401D41.5Very low35.6Very low147 Ų147133.7 Ų133.779%0.78674%0.742SS**THydrogen-bonded Turntrans-80.69.6178.1-90.4-11.3000114.9
402Y35.1Very low35.7Very low233 Ų233137 Ų13791%0.91474%0.742SS**THydrogen-bonded Turntrans-143.756.6174.5-100.9-87.7000112.5L400L400-Y402 PolarHBondContact O-N 3.21Å
403A38.7Very low35.5Very low63 Ų63134.5 Ų134.552%0.52173%0.73SS.*  trans-10593.915500000108C405A403-C405 PolarHBondContact O-N 2.72Å; A403-C405 PolarHBondContact O-SG 2.79Å
404D36.1Very low35.8Very low118 Ų118134.9 Ų134.963%0.63173%0.731SS**  trans-62.790.3164.4-1750.4000108.1T406 A407D404-T406 PolarHBondContact O-N 3.45Å; D404-T406 WeakPolarHBondContact OD1-CB 3.29Å; D404-T406 PolarHBondContact OD1-N 2.88Å; D404-T406 PolarHBondContact OD1-OG1 3.28Å; D404-A407 PolarHBondContact O-N 2.9Å
405C37.1Very low35.9Very low118 Ų118137.2 Ų137.280%0.79773%0.734SS**THydrogen-bonded Turntrans-69.514.2-179.6-66.60000113.4A403A403-C405 PolarHBondContact O-N 2.72Å; A403-C405 PolarHBondContact O-SG 2.79Å
406T36.2Very low36.2Very low114 Ų114133 Ų13370%0.69973%0.733SS**THydrogen-bonded Turntrans-87.2-4.8171.665.80000113.7D404 N408D404-T406 PolarHBondContact O-N 3.45Å; D404-T406 WeakPolarHBondContact OD1-CB 3.29Å; D404-T406 PolarHBondContact OD1-N 2.88Å; D404-T406 PolarHBondContact OD1-OG1 3.28Å; T406-N408 PolarHBondContact O-N 3.46Å; T406-N408 VanDerWaalsContact O-N 3.07Å
407A36.2Very low36.5Very low71 Ų71133 Ų13359%0.58774%0.736SS**  trans-80.388.4169.200000110.7D404 D409D404-A407 PolarHBondContact O-N 2.9Å; A407-D409 VanDerWaalsContact C-N 3.26Å; A407-D409 PolarHBondContact O-N 3.43Å
408N37Very low36.6Very low154 Ų154136.4 Ų136.482%0.82474%0.743SS**  trans-49.999.2147.5-78-21.7000107.1T406T406-N408 PolarHBondContact O-N 3.46Å; T406-N408 VanDerWaalsContact O-N 3.07Å
409D34.4Very low36.6Very low149 Ų149136 Ų13680%0.79775%0.745SS**  trans156.758.4158.2-75.9-23.1000109.4A407 P411A407-D409 VanDerWaalsContact C-N 3.26Å; A407-D409 PolarHBondContact O-N 3.43Å; D409-P411 VanDerWaalsContact C-CD 3.41Å; D409-P411 WeakPolarHBondContact O-CD 3.5Å
410I36.6Very low36.9Very low132 Ų132133 Ų13368%0.67773%0.732SS**  trans-87.695.7155-57.5176.2000105.6F412I410-F412 HydrophobicContact CG2-CE2 4.42Å; I410-F412 PolarHBondContact O-N 3.25Å
411P32.3Very low37.2Very low112 Ų112130.5 Ų130.573%0.72772%0.719SS**  trans-65.9103.1171.627.5-33.7000107.7D409 S413D409-P411 VanDerWaalsContact C-CD 3.41Å; D409-P411 WeakPolarHBondContact O-CD 3.5Å; P411-S413 PolarHBondContact O-N 3.36Å
412F36Very low37.3Very low188 Ų188129.7 Ų129.783%0.82571%0.714SS**  trans-66.276160-69.8-83000107.9I410 P414I410-F412 HydrophobicContact CG2-CE2 4.42Å; I410-F412 PolarHBondContact O-N 3.25Å; F412-P414 WeakPolarHBondContact O-CD 3.2Å
413S32.9Very low37.7Very low86 Ų86124.8 Ų124.860%0.60170%0.699SS**  trans-72.5120.9163.1-145.40000106.3P411 F415P411-S413 PolarHBondContact O-N 3.36Å; S413-F415 PolarHBondContact O-N 2.92Å
414P36Very low37.9Very low103 Ų103125.5 Ų125.567%0.66970%0.701SS**  trans-6798.6178.825.8-29.7000107.9F412 G416F412-P414 WeakPolarHBondContact O-CD 3.2Å; P414-G416 PolarHBondContact O-N 2.85Å
415F36.8Very low38.3Very low204 Ų204126 Ų12690%0.89570%0.703SS**  trans-64.9100.7170.9-93-89.4000108.3S413S413-F415 PolarHBondContact O-N 2.92Å
416G35.5Very low38.8Very low68 Ų68125.6 Ų125.670%0.70170%0.696SS**  trans57.879.8152.200000115.4P414 E418P414-G416 PolarHBondContact O-N 2.85Å; G416-E418 PolarHBondContact O-N 2.86Å
417E39.8Very low38.9Very low167 Ų167127.7 Ų127.778%0.7870%0.696SS**  trans-64.382.1155.2-65.4171.4-17000108.5L419E417-L419 PolarHBondContact O-N 3.36Å; E417-L419 VanDerWaalsContact O-N 3.13Å
418E36.2Very low39.1Very low174 Ų174131.2 Ų131.281%0.81371%0.705SS**  trans-68.8105.1157.4-170.6169.7-168.700105.6G416 V420G416-E418 PolarHBondContact O-N 2.86Å; E418-V420 PolarHBondContact O-N 2.59Å
419L39.1Very low39.1Very low156 Ų156128.8 Ų128.882%0.81770%0.7SS**  trans-60.387.6176-69.2168.3000108.3E417 D421E417-L419 PolarHBondContact O-N 3.36Å; E417-L419 VanDerWaalsContact O-N 3.13Å; L419-D421 VanDerWaalsContact C-N 3.27Å; L419-D421 PolarHBondContact O-N 2.69Å
420V41Very low39Very low93 Ų93128.6 Ų128.656%0.56470%0.697SS**  trans-66.795.6168.4-179.90000106.1E418 L422 L425E418-V420 PolarHBondContact O-N 2.59Å; V420-L422 PolarHBondContact O-N 3.17Å; V420-L422 VanDerWaalsContact O-N 3.08Å; V420-L425 HydrophobicContact CG1-CD1 3.85Å; V420-L425 HydrophobicContact CG1-CG 4.2Å
421D47.6Very low38.8Very low90 Ų90127.6 Ų127.648%0.48170%0.702SS.*  trans-57.4112.7171.6-179.99.6000108.4L419 H423 S424L419-D421 VanDerWaalsContact C-N 3.27Å; L419-D421 PolarHBondContact O-N 2.69Å; D421-H423 PolarHBondContact O-N 3.28Å; D421-H423 IonicContact OD1-CD2 2.85Å; D421-H423 PolarHBondContact OD1-CD2 3.46Å; D421-H423 VanDerWaalsContact OD1-CD2 3.25Å; D421-H423 IonicContact OD1-CG 3.25Å; D421-H423 PolarHBondContact OD1-N 2.9Å; D421-S424 WeakPolarHBondContact O-CB 3.37Å; D421-S424 PolarHBondContact O-N 2.88Å
422L43.6Very low39Very low130 Ų130129.5 Ų129.568%0.68171%0.706SS**Hα-helixtrans-55-22.7-178.1-115.881.1000112.3V420 S424 L425V420-L422 PolarHBondContact O-N 3.17Å; V420-L422 VanDerWaalsContact O-N 3.08Å; L422-S424 VanDerWaalsContact C-N 3.26Å; L422-S424 PolarHBondContact O-N 3.19Å; L422-L425 PolarHBondContact O-N 3.2Å
423H42.5Very low39.1Very low130 Ų130127.5 Ų127.560%0.60270%0.703SS**Hα-helixtrans-65.2-28.2175.1-69.4-66000112.8D421 F427D421-H423 PolarHBondContact O-N 3.28Å; D421-H423 IonicContact OD1-CD2 2.85Å; D421-H423 PolarHBondContact OD1-CD2 3.46Å; D421-H423 VanDerWaalsContact OD1-CD2 3.25Å; D421-H423 IonicContact OD1-CG 3.25Å; D421-H423 PolarHBondContact OD1-N 2.9Å; H423-F427 WeakPolarHBondContact O-CD2 3.21Å
424S43.4Very low39.2Very low79 Ų79129 Ų12955%0.55271%0.71SS**Hα-helixtrans-73.1-28.5177.8-61.30000112.8D421 L422D421-S424 WeakPolarHBondContact O-CB 3.37Å; D421-S424 PolarHBondContact O-N 2.88Å; L422-S424 VanDerWaalsContact C-N 3.26Å; L422-S424 PolarHBondContact O-N 3.19Å
425L44.8Very low39.3Very low129 Ų129129.2 Ų129.268%0.67572%0.715SS**Hα-helixtrans-78.8-16.4-179.2-72.8171.8000113.9V420 L422V420-L425 HydrophobicContact CG1-CD1 3.85Å; V420-L425 HydrophobicContact CG1-CG 4.2Å; L422-L425 PolarHBondContact O-N 3.2Å
426V46.2Very low39.1Very low108 Ų108127.1 Ų127.166%0.65571%0.713SS**Hα-helixtrans-93-15.5-177.9-177.90000112.6
427F39.2Very low39.4Very low158 Ų158130 Ų13069%0.69372%0.717SS**SBendtrans-100.6-6.2-174.4-74-65.9000116.7H423 S429H423-F427 WeakPolarHBondContact O-CD2 3.21Å; F427-S429 VanDerWaalsContact C-N 3.3Å; F427-S429 PolarHBondContact O-N 2.85Å
428D39.4Very low39.4Very low146 Ų146128.1 Ų128.178%0.78171%0.712SS**SBendtrans-85.97.9-177.3-89.1-4.5000115.4
429S37.3Very low39.7Very low103 Ų103128.6 Ų128.672%0.7271%0.714SS**SBendtrans-154.878.1170-73.50000111F427F427-S429 VanDerWaalsContact C-N 3.3Å; F427-S429 PolarHBondContact O-N 2.85Å
430I33.4Very low40Very low144 Ų144126.5 Ų126.574%0.73871%0.707SS**  trans-175.592.5137.8-78.9135.3000105.8
431S32.4Very low40.2Very low111 Ų111127 Ų12778%0.77672%0.715SS**  trans-67.6136158.4-49.10000108.5
432D35.8Very low39.9Very low152 Ų152130.6 Ų130.681%0.81373%0.727SS**SBendtrans67.668162.3-59-31000119.1
433I37.6Very low40.2Very low147 Ų147128.8 Ų128.875%0.75472%0.718SS**  trans-150128.6137.5-77.8113.9000108.4S435I433-S435 PolarHBondContact O-N 3.48Å
434P35.8Very low40.5Very low116 Ų116128.5 Ų128.575%0.75373%0.728SS**  trans-66.6129.6-177.225.8-33.2000112.6N436P434-N436 PolarHBondContact O-N 3.32Å
435S37.1Very low41Very low109 Ų109128 Ų12876%0.76273%0.728SS**  trans-60.3107.4171.642.60000111.9I433I433-S435 PolarHBondContact O-N 3.48Å
436N34.3Very low41.1Very low160 Ų160130.3 Ų130.386%0.85673%0.729SS**  trans-143.467.5153.9-90-44.5000106.7P434P434-N436 PolarHBondContact O-N 3.32Å
437V41.1Very low41.5Very low129 Ų129129.7 Ų129.778%0.78272%0.722SS**  trans-99.691.6164.5-177.10000105.4E439V437-E439 PolarHBondContact O-N 3.44Å
438D39.5Very low42.3Very low126 Ų126128 Ų12867%0.67472%0.719SS**  trans-54.1127.6170.5-129.8-23.5000108.5T440D438-T440 PolarHBondContact O-N 3.03Å
439E43.2Very low43.3Very low185 Ų185124.5 Ų124.586%0.86471%0.706SS**SBendtrans-68.615.9179.3-67.2-142.4147.200113.6V437 S441V437-E439 PolarHBondContact O-N 3.44Å; E439-S441 VanDerWaalsContact C-N 3.28Å; E439-S441 PolarHBondContact O-N 2.88Å
440T44.7Very low44.5Very low111 Ų111124.6 Ų124.668%0.68170%0.699SS**  trans-89.519.2175.963.20000113.4D438 F442D438-T440 PolarHBondContact O-N 3.03Å; T440-F442 PolarHBondContact O-N 3.2Å
441S45.1Very low45.6Very low103 Ų103123.5 Ų123.572%0.7269%0.694SS**  trans-83.122.6175.557.20000113.9E439 D443E439-S441 VanDerWaalsContact C-N 3.28Å; E439-S441 PolarHBondContact O-N 2.88Å; S441-D443 PolarHBondContact O-N 2.8Å
442F41.2Very low47Very low167 Ų167124.5 Ų124.573%0.73269%0.687SS**  trans-71.2112.4158-97.2-90.7000109T440 P444T440-F442 PolarHBondContact O-N 3.2Å; F442-P444 VanDerWaalsContact O-CD 3.31Å; F442-P444 WeakPolarHBondContact O-CD 3.42Å
443D50.6Low48Very low91 Ų91124.3 Ų124.349%0.48768%0.682SS.*  trans-59.1115173.2-174.8-7.6000109.5S441 A445 Y446S441-D443 PolarHBondContact O-N 2.8Å; D443-A445 PolarHBondContact O-N 3.15Å; D443-A445 VanDerWaalsContact OD1-CB 3.3Å; D443-A445 WeakPolarHBondContact OD1-CB 3.47Å; D443-A445 PolarHBondContact OD1-N 2.84Å; D443-A445 VanDerWaalsContact OD1-N 3.07Å; D443-Y446 PolarHBondContact O-N 2.81Å; D443-Y446 VanDerWaalsContact O-N 3.14Å
444P48.9Very low49Very low125 Ų125125 Ų12581%0.81268%0.681SS**THydrogen-bonded Turntrans-66.3-0.6-179.725.3-31.3000113.6F442 Y446F442-P444 VanDerWaalsContact O-CD 3.31Å; F442-P444 WeakPolarHBondContact O-CD 3.42Å; P444-Y446 PolarHBondContact O-N 2.76Å
445A53Low50Low68 Ų68128.2 Ų128.256%0.56268%0.684SS**THydrogen-bonded Turntrans-69.1-15169.200000113.7D443D443-A445 PolarHBondContact O-N 3.15Å; D443-A445 VanDerWaalsContact OD1-CB 3.3Å; D443-A445 WeakPolarHBondContact OD1-CB 3.47Å; D443-A445 PolarHBondContact OD1-N 2.84Å; D443-A445 VanDerWaalsContact OD1-N 3.07Å
446Y48Very low50.5Low178 Ų178129.9 Ų129.970%0.69871%0.705SS**  trans-115.982.1175.6-66-82.6000109.7D443 P444 I448D443-Y446 PolarHBondContact O-N 2.81Å; D443-Y446 VanDerWaalsContact O-N 3.14Å; P444-Y446 PolarHBondContact O-N 2.76Å; Y446-I448 PolarHBondContact O-N 3.19Å
447D52.9Low51.3Low95 Ų95128.4 Ų128.451%0.50870%0.697SS.*  trans-67.2121.2158.9-165.7-27.3000106.9S449 D450D447-S449 PolarHBondContact O-N 3.05Å; D447-S449 VanDerWaalsContact OD1-CB 3.26Å; D447-S449 WeakPolarHBondContact OD1-CB 3.44Å; D447-S449 PolarHBondContact OD1-N 3.07Å; D447-S449 VanDerWaalsContact OD1-N 3.1Å; D447-S449 PolarHBondContact OD1-OG 3.08Å; D447-D450 PolarHBondContact O-N 2.92Å
448I56.9Low51.8Low122 Ų122128.4 Ų128.463%0.62669%0.692SS**Hα-helixtrans-52.8-26.2178.8-64.4165.4000110.6Y446 D450 L451 M452Y446-I448 PolarHBondContact O-N 3.19Å; I448-D450 VanDerWaalsContact C-N 3.32Å; I448-D450 PolarHBondContact O-N 3.39Å; I448-L451 PolarHBondContact O-N 2.94Å; I448-M452 PolarHBondContact O-N 3.33Å
449S61.5Low52.5Low73 Ų73128.5 Ų128.551%0.5169%0.694SS.*Hα-helixtrans-59.8-35.7174.7-48.30000113.6D447 Q453D447-S449 PolarHBondContact O-N 3.05Å; D447-S449 VanDerWaalsContact OD1-CB 3.26Å; D447-S449 WeakPolarHBondContact OD1-CB 3.44Å; D447-S449 PolarHBondContact OD1-N 3.07Å; D447-S449 VanDerWaalsContact OD1-N 3.1Å; D447-S449 PolarHBondContact OD1-OG 3.08Å; S449-Q453 PolarHBondContact O-N 3Å
450D61Low53.1Low105 Ų105125.2 Ų125.256%0.56168%0.683SS**Hα-helixtrans-73.2-30.3178.7-84.2-11.2000111.9D447 I448D447-D450 PolarHBondContact O-N 2.92Å; I448-D450 VanDerWaalsContact C-N 3.32Å; I448-D450 PolarHBondContact O-N 3.39Å
451L56.9Low53.6Low121 Ų121126.1 Ų126.163%0.63468%0.684SS**Hα-helixtrans-74-33.7177.6-159.674.3000111.9I448 Q453I448-L451 PolarHBondContact O-N 2.94Å; L451-Q453 VanDerWaalsContact C-N 3.29Å; L451-Q453 PolarHBondContact O-N 3.43Å
452M62.5Low54.2Low131 Ų131127.6 Ų127.665%0.64568%0.681SS**Hα-helixtrans-69.6-24.2177.7-75.5-84.3-63.700113.1I448 H454 F455I448-M452 PolarHBondContact O-N 3.33Å; M452-H454 PolarHBondContact O-N 3.36Å; M452-F455 PolarHBondContact O-N 3.12Å
453Q56.7Low55.1Low148 Ų148124.8 Ų124.869%0.69268%0.678SS**THydrogen-bonded Turntrans-71.2-14.8-177.3-129.7177.428.800113.8S449 L451 F455S449-Q453 PolarHBondContact O-N 3Å; L451-Q453 VanDerWaalsContact C-N 3.29Å; L451-Q453 PolarHBondContact O-N 3.43Å; Q453-F455 VanDerWaalsContact C-N 3.33Å
454H57Low55.4Low162 Ų162127.4 Ų127.475%0.7569%0.692SS**THydrogen-bonded Turntrans-82.7-8.7174.2-72-55.3000114M452M452-H454 PolarHBondContact O-N 3.36Å
455F57.6Low56Low183 Ų183127.6 Ų127.680%0.80368%0.682SS**  trans-115.72.3-177.1-64.5-75.5000114.3M452 Q453M452-F455 PolarHBondContact O-N 3.12Å; Q453-F455 VanDerWaalsContact C-N 3.33Å
456A47.8Very low56.3Low145 Ų145133 Ų133100%1.19869%0.693SS**  trans-104.50171.700000110

Retrieved 456 of 456 residues in 192.3 ms (Link to these results)