A0A087XEM1_POEFO Loading...

Basic helix-loop-helix family, member e40

AlphaFold DB , UniProt , Accession A0A087XEM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.2Very low45.4Very low218 Ų218141.7 Ų141.7100%1.07478%0.779SS**  0115.40-165.5155.9-176.800106.1
2E42.6Very low44.4Very low133 Ų133145.4 Ų145.462%0.62178%0.775SS**  trans68.4150.7160.2-54.4-172.1129.700118
3R40.3Very low44.1Very low206 Ų206141.2 Ų141.278%0.77776%0.757SS**  cis-153.4164.7-11.8-119.8179.7-101.7134.6-12.9109.5
4I54.5Low44Very low153 Ų153140.4 Ų140.479%0.78576%0.763SS**  trans-77.3150.6-177-57.4149.8000111.7
5T44.1Very low43.5Very low145 Ų145141.3 Ų141.389%0.8976%0.757SS**  trans-140.9146.7146.5-50.50000110.6
6S42.2Very low43.2Very low99 Ų99142.9 Ų142.969%0.69276%0.758SS**  trans-128167.8-173.879.30000113.7
7A42.3Very low42.6Very low80 Ų80139.6 Ų139.666%0.66176%0.756SS**  trans71.7113.4150.100000122.4
8Q35.8Very low42.2Very low189 Ų189137.2 Ų137.288%0.88375%0.751SS**  95148.8123-81-168.5-99.800124.1
9P62.4Low42Very low104 Ų104139.8 Ų139.868%0.67576%0.76SS**  trans-100.1-178.5-175.845.2-39.1000112.5
10P54.1Low41.7Very low118 Ų118140.3 Ų140.377%0.76676%0.762SS**  -148-147.384.641.7-20.7000110.9
11P46.4Very low41.7Very low114 Ų114141.5 Ų141.574%0.7477%0.766SS**  cis-136.8147.7-14.937.9-18.4000118.6
12Y33.8Very low42.4Very low186 Ų186136.1 Ų136.173%0.72975%0.747SS**  trans56107.2131.4-148.2-91.4000125.7
13V40.9Very low42.6Very low91 Ų91135.2 Ų135.255%0.55275%0.747SS**  trans2.4151.8141.8-120.40000123
14P42.2Very low42.6Very low129 Ų129133.2 Ų133.284%0.83875%0.749SS**  -122.1166.4109.8-6.126.8000118.2
15K37Very low42.4Very low154 Ų154135.4 Ų135.467%0.6775%0.747SS**  trans-90.5174.6-170.6-54.7160.4175.8176.50112.2
16H37.7Very low42.3Very low167 Ų167138.1 Ų138.177%0.77374%0.741SS**  cis-165.2171.636.9-118.9-70.7000114.2
17A33Very low42.5Very low87 Ų87141.5 Ų141.572%0.71975%0.75SS**  trans98.780.3166.300000116.3
18S36.7Very low42.5Very low97 Ų97144 Ų14468%0.67875%0.748SS**  72.1100.162.682.10000116.5
19M37Very low43Very low186 Ų186145.1 Ų145.192%0.91675%0.746SS**  trans-145.8133.2135.7-81.5-130.275.500108
20D36.6Very low42.1Very low149 Ų149145.7 Ų145.780%0.79775%0.75SS**  trans-84.7143.1-166.9-58.3-80.3000113.9
21I41.3Very low42Very low166 Ų166147.1 Ų147.185%0.85175%0.749SS**  trans-120.1110.8164.1-61.6169.7000106.6
22P50.2Low42.2Very low105 Ų105152.4 Ų152.468%0.68276%0.756SS**  trans-77.4127.3-177.128.4-32.6000112.6M24P22-M24 PolarHBondContact O-N 3.08Å; P22-M24 VanDerWaalsContact O-N 3.07Å
23D45.1Very low42.9Very low114 Ų114150.2 Ų150.261%0.6175%0.754SS**  trans-62.997.7166174.823000110.2R25D23-R25 PolarHBondContact O-N 3.13Å; D23-R25 WeakPolarHBondContact OD1-CG 3.46Å; D23-R25 IonicContact OD2-CZ 3.67Å; D23-R25 IonicContact OD2-NE 2.91Å; D23-R25 PolarHBondContact OD2-NE 3.24Å; D23-R25 IonicContact OD2-NH2 3.54Å
24M42Very low43.2Very low165 Ų165151.5 Ų151.581%0.81377%0.766SS**  trans-97.380.3171.6-72.6-66.3-88.500110.6P22P22-M24 PolarHBondContact O-N 3.08Å; P22-M24 VanDerWaalsContact O-N 3.07Å
25R49.3Very low43.3Very low199 Ų199153.2 Ų153.275%0.75176%0.76SS**  trans-53.4156.4163.1-57.7178.9-177.5-162.7-5.6110.7D23D23-R25 PolarHBondContact O-N 3.13Å; D23-R25 WeakPolarHBondContact OD1-CG 3.46Å; D23-R25 IonicContact OD2-CZ 3.67Å; D23-R25 IonicContact OD2-NE 2.91Å; D23-R25 PolarHBondContact OD2-NE 3.24Å; D23-R25 IonicContact OD2-NH2 3.54Å
26R42.1Very low43.6Very low201 Ų201150.7 Ų150.776%0.75876%0.762SS**  trans70.883.3168.2-160.7-168.4-124-145.28.3113.6E28R26-E28 WeakPolarHBondContact CD-OE2 3.5Å; R26-E28 HydrophobicContact CG-CB 4.29Å; R26-E28 IonicContact CZ-OE2 3.63Å; R26-E28 IonicContact NE-OE2 3.88Å; R26-E28 IonicContact NH1-OE2 2.69Å; R26-E28 PolarHBondContact NH1-OE2 3.31Å; R26-E28 PolarHBondContact O-N 3.3Å
27L47.3Very low44.4Very low170 Ų170154.2 Ų154.289%0.8977%0.768SS**  trans-64.585149.8-81.196.7000108.5Y29L27-Y29 PolarHBondContact O-N 2.85Å
28E42.7Very low45.5Very low133 Ų133162.3 Ų162.362%0.62178%0.78SS**  trans-67.7113167.2-166.2160.514100107.5R26 P30R26-E28 WeakPolarHBondContact CD-OE2 3.5Å; R26-E28 HydrophobicContact CG-CB 4.29Å; R26-E28 IonicContact CZ-OE2 3.63Å; R26-E28 IonicContact NE-OE2 3.88Å; R26-E28 IonicContact NH1-OE2 2.69Å; R26-E28 PolarHBondContact NH1-OE2 3.31Å; R26-E28 PolarHBondContact O-N 3.3Å; E28-P30 WeakPolarHBondContact O-CD 3.13Å
29Y46.4Very low45.9Very low212 Ų212160.8 Ų160.883%0.83178%0.78SS**  trans-51.1124.8178.3-70.2-93.9000109.6L27 I31L27-Y29 PolarHBondContact O-N 2.85Å; Y29-I31 VanDerWaalsContact C-N 3.32Å; Y29-I31 PolarHBondContact O-N 2.79Å
30P43.3Very low46.8Very low117 Ų117161.3 Ų161.376%0.7678%0.783SS**  trans-65.797.1171.5-18.831.9000108.6E28 Y32E28-P30 WeakPolarHBondContact O-CD 3.13Å; P30-Y32 PolarHBondContact O-N 3.04Å
31I51Low47.6Very low148 Ų148162.5 Ų162.576%0.75978%0.781SS**  trans-55.6109.2162.2-62.3174.7000104.9Y29 M33Y29-I31 VanDerWaalsContact C-N 3.32Å; Y29-I31 PolarHBondContact O-N 2.79Å; I31-M33 VanDerWaalsContact C-N 3.31Å; I31-M33 PolarHBondContact O-N 3.12Å
32Y51.3Low48.3Very low225 Ų225157.6 Ų157.688%0.88277%0.771SS**  trans-62.196.8-179.4-121.9-97.9000107.9P30 C34P30-Y32 PolarHBondContact O-N 3.04Å; Y32-C34 VanDerWaalsContact C-N 3.29Å; Y32-C34 PolarHBondContact O-N 3.44Å
33M47.8Very low48.2Very low139 Ų139162.3 Ų162.369%0.68578%0.775SS**  trans-67.792.1178.1-68-166.283.200108.1I31 K35I31-M33 VanDerWaalsContact C-N 3.31Å; I31-M33 PolarHBondContact O-N 3.12Å; M33-K35 HydrophobicContact CB-CG 4.23Å; M33-K35 VanDerWaalsContact CE-CE 3.49Å; M33-K35 PolarHBondContact O-N 3.37Å
34C46.6Very low48.5Very low118 Ų118160.8 Ų160.880%0.79777%0.767SS**  trans-66.880.4168.2-170.10000108.9Y32 S36Y32-C34 VanDerWaalsContact C-N 3.29Å; Y32-C34 PolarHBondContact O-N 3.44Å; C34-S36 PolarHBondContact O-N 2.95Å
35K44.7Very low49.1Very low166 Ų166158.2 Ų158.272%0.72275%0.753SS**  trans-76.773.7173.4-69.9-162.8176.6-178.90109.1M33 R37M33-K35 HydrophobicContact CB-CG 4.23Å; M33-K35 VanDerWaalsContact CE-CE 3.49Å; M33-K35 PolarHBondContact O-N 3.37Å; K35-R37 PolarHBondContact O-N 2.94Å
36S42.9Very low49.1Very low101 Ų101153.8 Ų153.871%0.70675%0.751SS**  trans-61.5117.6171.9-164.20000109.3C34 R38C34-S36 PolarHBondContact O-N 2.95Å; S36-R38 PolarHBondContact O-N 3.22Å
37R54.7Low49.9Very low240 Ų240148.4 Ų148.491%0.90673%0.733SS**  trans-72.2129.2178.8-92.6-173.2173-121.84.4109.6K35 G39K35-R37 PolarHBondContact O-N 2.94Å; R37-G39 PolarHBondContact O-N 3.2Å
38R57.3Low50.4Low258 Ų258146.4 Ų146.497%0.97472%0.719SS**  trans-30.9112.3177.6-159.5178.3-65.9-164.3-0.3114.4S36S36-R38 PolarHBondContact O-N 3.22Å
39G44.2Very low51.3Low65 Ų65144.6 Ų144.667%0.6772%0.717SS**  trans-158.3136.8168.100000109.7R37 K41R37-G39 PolarHBondContact O-N 3.2Å; G39-K41 PolarHBondContact O-N 3.12Å; G39-K41 VanDerWaalsContact O-N 3.17Å
40M57Low52.1Low197 Ų197143.5 Ų143.597%0.9771%0.713SS**THydrogen-bonded Turntrans-75.5101.6-166.6-64120.864.400114.2
41K53.4Low53.6Low173 Ų173143.6 Ų143.675%0.75270%0.702SS**THydrogen-bonded Turntrans-16613.3138.1-142160.1175.91750117.6G39 R43G39-K41 PolarHBondContact O-N 3.12Å; G39-K41 VanDerWaalsContact O-N 3.17Å; K41-R43 VanDerWaalsContact C-N 3.33Å; K41-R43 PolarHBondContact O-N 3.07Å
42G55.1Low55Low63 Ų63141.8 Ų141.865%0.64969%0.693SS**THydrogen-bonded Turntrans-71.260.5-17100000118.5E45G42-E45 WeakPolarHBondContact CA-OE1 3.35Å; G42-E45 PolarHBondContact N-OE1 3.48Å
43R48.4Very low56.8Low205 Ų205134.2 Ų134.277%0.77467%0.672SS**THydrogen-bonded Turntrans-120.2-14.2163.9-160.3178.7-176.2-118.80.2114K41 K47K41-R43 VanDerWaalsContact C-N 3.33Å; K41-R43 PolarHBondContact O-N 3.07Å; R43-K47 WeakPolarHBondContact O-CE 3.39Å
44D51.2Low59.1Low82 Ų82133.7 Ų133.744%0.43967%0.667SS.*SBendtrans-101-19.9175.8-76.7-50.7000114C46 K47 E48D44-C46 PolarHBondContact O-N 3.48Å; D44-K47 CarbonylContact O-C 3.56Å; D44-K47 WeakPolarHBondContact O-CA 3.38Å; D44-K47 VanDerWaalsContact O-CB 3.3Å; D44-K47 WeakPolarHBondContact O-CB 3.25Å; D44-K47 PolarHBondContact O-N 3.46Å; D44-K47 WeakPolarHBondContact OD1-CD 3.42Å; D44-K47 IonicContact OD1-NZ 3.55Å; D44-K47 PolarHBondContact OD1-NZ 2.84Å; D44-E48 PolarHBondContact O-N 3.3Å
45E53.5Low61.3Low111 Ų111136.6 Ų136.652%0.51966%0.661SS.*Hα-helixtrans-58.6-49-177.7-62.9166.9-139.600112.5G42 K47 E48 T49G42-E45 WeakPolarHBondContact CA-OE1 3.35Å; G42-E45 PolarHBondContact N-OE1 3.48Å; E45-K47 PolarHBondContact O-N 3.4Å; E45-E48 PolarHBondContact O-N 2.94Å; E45-T49 PolarHBondContact O-N 2.82Å; E45-T49 PolarHBondContact O-OG1 3.36Å
46C50.9Low63.7Low105 Ų105134.4 Ų134.471%0.70966%0.657SS**Hα-helixtrans-59.9-27.5173.8-73.30000113.2D44D44-C46 PolarHBondContact O-N 3.48Å
47K57.6Low66.2Low89 Ų89135.2 Ų135.239%0.38765%0.652SS.*Hα-helixtrans-77.5-38.7175.4-52.6-179.5-162.1152.60110.7R43 D44 E45 Y50 K51R43-K47 WeakPolarHBondContact O-CE 3.39Å; D44-K47 CarbonylContact O-C 3.56Å; D44-K47 WeakPolarHBondContact O-CA 3.38Å; D44-K47 VanDerWaalsContact O-CB 3.3Å; D44-K47 WeakPolarHBondContact O-CB 3.25Å; D44-K47 PolarHBondContact O-N 3.46Å; D44-K47 WeakPolarHBondContact OD1-CD 3.42Å; D44-K47 IonicContact OD1-NZ 3.55Å; D44-K47 PolarHBondContact OD1-NZ 2.84Å; E45-K47 PolarHBondContact O-N 3.4Å; K47-Y50 PolarHBondContact O-N 2.98Å; K47-K51 VanDerWaalsContact O-CB 3.3Å; K47-K51 WeakPolarHBondContact O-CB 3.15Å; K47-K51 WeakPolarHBondContact O-CG 3.32Å; K47-K51 PolarHBondContact O-N 2.91Å
48E59.3Low68.2Low127 Ų127125.9 Ų125.959%0.59362%0.619SS**Hα-helixtrans-63-41.4175-68.8-156.813100112.2D44 E45 Y50 K51 L52D44-E48 PolarHBondContact O-N 3.3Å; E45-E48 PolarHBondContact O-N 2.94Å; E48-Y50 VanDerWaalsContact C-N 3.28Å; E48-Y50 PolarHBondContact O-N 2.86Å; E48-K51 PolarHBondContact O-N 3.5Å; E48-L52 PolarHBondContact O-N 2.95Å
49T60.1Low70.1Confident95 Ų95119.1 Ų119.158%0.58360%0.596SS**Hα-helixtrans-58.8-36.2178.5-49.60000112.9E45 P53E45-T49 PolarHBondContact O-N 2.82Å; E45-T49 PolarHBondContact O-OG1 3.36Å; T49-P53 WeakPolarHBondContact O-CD 3.28Å
50Y64.1Low72.6Confident190 Ų190123.7 Ų123.775%0.74560%0.598SS**Hα-helixtrans-85-27.5172.5-83.3-91.9000113.7K47 E48 P53 H54K47-Y50 PolarHBondContact O-N 2.98Å; E48-Y50 VanDerWaalsContact C-N 3.28Å; E48-Y50 PolarHBondContact O-N 2.86Å; Y50-P53 WeakPolarHBondContact O-CD 3.42Å; Y50-H54 PolarHBondContact O-N 3.02Å
51K75.6Confident74.6Confident118 Ų118121 Ų12151%0.51358%0.577SS.*Hα-helixtrans-69.3-29.6175.8-78.1171.3-178-172.10113K47 E48 H54 R55K47-K51 VanDerWaalsContact O-CB 3.3Å; K47-K51 WeakPolarHBondContact O-CB 3.15Å; K47-K51 WeakPolarHBondContact O-CG 3.32Å; K47-K51 PolarHBondContact O-N 2.91Å; E48-K51 PolarHBondContact O-N 3.5Å; K51-H54 PolarHBondContact O-N 3.47Å; K51-R55 WeakPolarHBondContact O-CB 3.28Å; K51-R55 VanDerWaalsContact O-CG 3.24Å; K51-R55 WeakPolarHBondContact O-CG 3.29Å; K51-R55 PolarHBondContact O-N 3.41Å
52L79.4Confident76.7Confident111 Ų111118.5 Ų118.558%0.58156%0.563SS**Hα-helixtrans-63.8-51.5176.4-73170000112.4E48 H54 R55 L56E48-L52 PolarHBondContact O-N 2.95Å; L52-H54 VanDerWaalsContact C-N 3.34Å; L52-H54 PolarHBondContact O-N 3.41Å; L52-R55 PolarHBondContact O-N 3.36Å; L52-L56 PolarHBondContact O-N 2.92Å; L52-L56 VanDerWaalsContact O-N 3.09Å
53P89.5Confident78.8Confident66 Ų66119.2 Ų119.243%0.42955%0.551SS.*Hα-helixtrans-53.6-45.8167.7-28.234.2000113.3T49 Y50 R55 L56 I57T49-P53 WeakPolarHBondContact O-CD 3.28Å; Y50-P53 WeakPolarHBondContact O-CD 3.42Å; P53-R55 PolarHBondContact O-N 3.19Å; P53-L56 PolarHBondContact O-N 2.92Å; P53-L56 VanDerWaalsContact O-N 3.16Å; P53-I57 VanDerWaalsContact O-CG1 3.31Å; P53-I57 WeakPolarHBondContact O-CG1 3.17Å; P53-I57 PolarHBondContact O-N 2.88Å
54H94.8Very high81.2Confident128 Ų128118.5 Ų118.559%0.59355%0.549SS*.Hα-helixtrans-61.2-44.2179.6-173.681.4000112.3Y50 K51 L52 L56 I57 E58Y50-H54 PolarHBondContact O-N 3.02Å; K51-H54 PolarHBondContact O-N 3.47Å; L52-H54 VanDerWaalsContact C-N 3.34Å; L52-H54 PolarHBondContact O-N 3.41Å; H54-L56 VanDerWaalsContact C-N 3.3Å; H54-L56 PolarHBondContact O-N 3.4Å; H54-I57 PolarHBondContact O-N 3.45Å; H54-E58 VanDerWaalsContact O-CB 3.32Å; H54-E58 WeakPolarHBondContact O-CB 3.2Å; H54-E58 PolarHBondContact O-N 2.91Å
55R93.2Very high83.4Confident178 Ų178118 Ų11867%0.67255%0.545SS*.Hα-helixtrans-60.9-36.6175-73.517389.4-176.47.2112.2K51 L52 P53 K59K51-R55 WeakPolarHBondContact O-CB 3.28Å; K51-R55 VanDerWaalsContact O-CG 3.24Å; K51-R55 WeakPolarHBondContact O-CG 3.29Å; K51-R55 PolarHBondContact O-N 3.41Å; L52-R55 PolarHBondContact O-N 3.36Å; P53-R55 PolarHBondContact O-N 3.19Å; R55-K59 VanDerWaalsContact O-CB 3.26Å; R55-K59 WeakPolarHBondContact O-CB 3.47Å; R55-K59 PolarHBondContact O-N 3.49Å
56L95.6Very high85.6Confident121 Ų121115.8 Ų115.863%0.63454%0.537SS*.Hα-helixtrans-72.7-43.7178.3-174.963000112.4L52 P53 H54 K59 K60L52-L56 PolarHBondContact O-N 2.92Å; L52-L56 VanDerWaalsContact O-N 3.09Å; P53-L56 PolarHBondContact O-N 2.92Å; P53-L56 VanDerWaalsContact O-N 3.16Å; H54-L56 VanDerWaalsContact C-N 3.3Å; H54-L56 PolarHBondContact O-N 3.4Å; L56-K59 PolarHBondContact O-N 3.36Å; L56-K60 PolarHBondContact O-N 2.62Å
57I95Very high87.8Confident117 Ų117115.8 Ų115.860%0.653%0.527SS*.Hα-helixtrans-61.1-48.3176-68163.5000110.2P53 H54 K59 K60 R61P53-I57 VanDerWaalsContact O-CG1 3.31Å; P53-I57 WeakPolarHBondContact O-CG1 3.17Å; P53-I57 PolarHBondContact O-N 2.88Å; H54-I57 PolarHBondContact O-N 3.45Å; I57-K59 PolarHBondContact O-N 3.32Å; I57-K60 PolarHBondContact O-N 2.81Å; I57-R61 PolarHBondContact O-N 3.27Å
58E97.4Very high89.8Confident45 Ų45114.3 Ų114.321%0.2153%0.527CS..Hα-helixtrans-69.9-30.6179.2168.353.4-16200112.2H54 R61 R62H54-E58 VanDerWaalsContact O-CB 3.32Å; H54-E58 WeakPolarHBondContact O-CB 3.2Å; H54-E58 PolarHBondContact O-N 2.91Å; E58-R61 VanDerWaalsContact CD-NH1 3.35Å; E58-R61 PolarHBondContact O-N 2.99Å; E58-R61 IonicContact OE1-NH1 3.99Å; E58-R61 PolarHBondContact OE1-NH1 3.35Å; E58-R61 WeakPolarHBondContact OE2-CD 3.45Å; E58-R61 IonicContact OE2-CZ 3.21Å; E58-R61 IonicContact OE2-NE 2.79Å; E58-R61 IonicContact OE2-NH1 2.81Å; E58-R61 PolarHBondContact OE2-NH1 2.93Å; E58-R62 WeakPolarHBondContact O-CG 3.38Å; E58-R62 PolarHBondContact O-N 2.88Å; E58-R62 WeakPolarHBondContact OE1-CD 3.22Å; E58-R62 WeakPolarHBondContact OE1-CG 3.38Å; E58-R62 IonicContact OE1-CZ 3.77Å; E58-R62 IonicContact OE1-NE 2.75Å; E58-R62 IonicContact OE1-NH1 2.6Å; E58-R62 PolarHBondContact OE1-NH1 3.46Å
59K96.9Very high91.6Very high115 Ų115109.5 Ų109.550%0.551%0.505SS..Hα-helixtrans-59.5-54.5166.3179.9-178174.2-173.30110.5R55 L56 I57 R61 R62 D63R55-K59 VanDerWaalsContact O-CB 3.26Å; R55-K59 WeakPolarHBondContact O-CB 3.47Å; R55-K59 PolarHBondContact O-N 3.49Å; L56-K59 PolarHBondContact O-N 3.36Å; I57-K59 PolarHBondContact O-N 3.32Å; K59-R61 PolarHBondContact O-N 3.42Å; K59-R62 PolarHBondContact O-N 2.83Å; K59-D63 WeakPolarHBondContact CE-OD2 3.35Å; K59-D63 WeakPolarHBondContact CG-OD2 3.37Å; K59-D63 PolarHBondContact O-N 2.88Å
60K97.4Very high93.3Very high162 Ų162106.8 Ų106.870%0.70449%0.492SS*.Hα-helixtrans-57.3-36.7179.1-174.2176.2-179.5177.70112.5L56 I57 R64L56-K60 PolarHBondContact O-N 2.62Å; I57-K60 PolarHBondContact O-N 2.81Å; K60-R64 PolarHBondContact O-N 3.44Å; K60-R64 VanDerWaalsContact O-N 3.1Å
61R98.3Very high94.9Very high140 Ų140102.5 Ų102.553%0.52848%0.479SS..Hα-helixtrans-63.1-48173175.8176.2160.5-81.4-5.8111.9I57 E58 K59 R64 I65I57-R61 PolarHBondContact O-N 3.27Å; E58-R61 VanDerWaalsContact CD-NH1 3.35Å; E58-R61 PolarHBondContact O-N 2.99Å; E58-R61 IonicContact OE1-NH1 3.99Å; E58-R61 PolarHBondContact OE1-NH1 3.35Å; E58-R61 WeakPolarHBondContact OE2-CD 3.45Å; E58-R61 IonicContact OE2-CZ 3.21Å; E58-R61 IonicContact OE2-NE 2.79Å; E58-R61 IonicContact OE2-NH1 2.81Å; E58-R61 PolarHBondContact OE2-NH1 2.93Å; K59-R61 PolarHBondContact O-N 3.42Å; R61-R64 PolarHBondContact O-N 3Å; R61-I65 HydrophobicContact CG-CD1 4.02Å; R61-I65 WeakPolarHBondContact O-CG1 3.26Å; R61-I65 PolarHBondContact O-N 3.46Å
62R98.4Very high95.9Very high121 Ų12199.6 Ų99.646%0.45747%0.469SS..Hα-helixtrans-64.5-40.6177.2-74-172.1-64.4-1102112.7E58 K59 R64 I65 N66E58-R62 WeakPolarHBondContact O-CG 3.38Å; E58-R62 PolarHBondContact O-N 2.88Å; E58-R62 WeakPolarHBondContact OE1-CD 3.22Å; E58-R62 WeakPolarHBondContact OE1-CG 3.38Å; E58-R62 IonicContact OE1-CZ 3.77Å; E58-R62 IonicContact OE1-NE 2.75Å; E58-R62 IonicContact OE1-NH1 2.6Å; E58-R62 PolarHBondContact OE1-NH1 3.46Å; K59-R62 PolarHBondContact O-N 2.83Å; R62-R64 VanDerWaalsContact C-N 3.34Å; R62-R64 PolarHBondContact O-N 3.03Å; R62-I65 PolarHBondContact O-N 3.46Å; R62-I65 VanDerWaalsContact O-N 3.15Å; R62-N66 PolarHBondContact O-N 2.86Å; R62-N66 PolarHBondContact O-ND2 2.85Å
63D98.3Very high96.6Very high77 Ų7798 Ų9841%0.41246%0.457SS..Hα-helixtrans-60.7-45.7178.1-62.8-17.2000110K59 I65 N66 E67K59-D63 WeakPolarHBondContact CE-OD2 3.35Å; K59-D63 WeakPolarHBondContact CG-OD2 3.37Å; K59-D63 PolarHBondContact O-N 2.88Å; D63-I65 PolarHBondContact O-N 3.2Å; D63-N66 PolarHBondContact O-N 2.78Å; D63-E67 PolarHBondContact O-N 2.84Å
64R98.5Very high96.8Very high191 Ų19199.6 Ų99.672%0.72146%0.462SS*.Hα-helixtrans-59.6-41172179.2-178.2170-132.8-3.9113.4K60 R61 R62 E67 C68K60-R64 PolarHBondContact O-N 3.44Å; K60-R64 VanDerWaalsContact O-N 3.1Å; R61-R64 PolarHBondContact O-N 3Å; R62-R64 VanDerWaalsContact C-N 3.34Å; R62-R64 PolarHBondContact O-N 3.03Å; R64-E67 PolarHBondContact O-N 3.49Å; R64-C68 PolarHBondContact O-N 2.96Å; R64-C68 VanDerWaalsContact O-N 3.09Å; R64-C68 PolarHBondContact O-SG 2.98Å; R64-C68 VanDerWaalsContact O-SG 3.35Å
65I98.4Very high96.9Very high71 Ų71100 Ų10036%0.36447%0.468SS..Hα-helixtrans-66-41.5177.8-70.1165.5000110.7R61 R62 D63 E67 C68 I69R61-I65 HydrophobicContact CG-CD1 4.02Å; R61-I65 WeakPolarHBondContact O-CG1 3.26Å; R61-I65 PolarHBondContact O-N 3.46Å; R62-I65 PolarHBondContact O-N 3.46Å; R62-I65 VanDerWaalsContact O-N 3.15Å; D63-I65 PolarHBondContact O-N 3.2Å; I65-E67 VanDerWaalsContact C-N 3.34Å; I65-C68 PolarHBondContact O-N 3.18Å; I65-I69 HydrophobicContact CG2-CD1 3.87Å; I65-I69 VanDerWaalsContact O-CG1 3.32Å; I65-I69 WeakPolarHBondContact O-CG1 3.27Å; I65-I69 PolarHBondContact O-N 3.07Å
66N98.2Very high96.9Very high64 Ų6491.8 Ų91.834%0.34244%0.437SS..Hα-helixtrans-62.5-41.9176.8-66.4-30.3000111.4R62 D63 I69 A70 K90R62-N66 PolarHBondContact O-N 2.86Å; R62-N66 PolarHBondContact O-ND2 2.85Å; D63-N66 PolarHBondContact O-N 2.78Å; N66-I69 PolarHBondContact O-N 3.31Å; N66-A70 PolarHBondContact O-N 3.02Å; N66-K90 PolarHBondContact OD1-NZ 3.15Å
67E98.4Very high96.8Very high106 Ų10687.2 Ų87.250%0.49542%0.415SS..Hα-helixtrans-58.5-49.8175-174.259.1-141.100111.6D63 R64 I65 I69 A70 Q71D63-E67 PolarHBondContact O-N 2.84Å; R64-E67 PolarHBondContact O-N 3.49Å; I65-E67 VanDerWaalsContact C-N 3.34Å; E67-I69 VanDerWaalsContact C-N 3.3Å; E67-I69 PolarHBondContact O-N 3.37Å; E67-A70 WeakPolarHBondContact O-CB 3.15Å; E67-A70 PolarHBondContact O-N 3.45Å; E67-A70 VanDerWaalsContact O-N 3.14Å; E67-Q71 WeakPolarHBondContact O-CG 3.34Å; E67-Q71 PolarHBondContact O-N 3.01Å; E67-Q71 PolarHBondContact OE1-NE2 3.29Å
68C98.3Very high96.6Very high57 Ų5788.7 Ų88.739%0.38542%0.419SS..Hα-helixtrans-60-37.6175.6-650000112.8R64 I65 Q71 L72R64-C68 PolarHBondContact O-N 2.96Å; R64-C68 VanDerWaalsContact O-N 3.09Å; R64-C68 PolarHBondContact O-SG 2.98Å; R64-C68 VanDerWaalsContact O-SG 3.35Å; I65-C68 PolarHBondContact O-N 3.18Å; C68-Q71 PolarHBondContact O-N 3.15Å; C68-L72 WeakPolarHBondContact O-CG 3.21Å; C68-L72 PolarHBondContact O-N 3.43Å
69I97.4Very high96.1Very high27 Ų2793 Ų9314%0.13844%0.439CS..Hα-helixtrans-69.6-36.1176.8-65.6166000111.3I65 N66 E67 L72 K73 K90 V93I65-I69 HydrophobicContact CG2-CD1 3.87Å; I65-I69 VanDerWaalsContact O-CG1 3.32Å; I65-I69 WeakPolarHBondContact O-CG1 3.27Å; I65-I69 PolarHBondContact O-N 3.07Å; N66-I69 PolarHBondContact O-N 3.31Å; E67-I69 VanDerWaalsContact C-N 3.3Å; E67-I69 PolarHBondContact O-N 3.37Å; I69-L72 PolarHBondContact O-N 2.73Å; I69-K73 WeakPolarHBondContact O-CB 3.49Å; I69-K73 PolarHBondContact O-N 2.84Å; I69-K90 HydrophobicContact CD1-CD 4.14Å; I69-K90 HydrophobicContact CD1-CG 4.42Å; I69-K90 HydrophobicContact CG2-CG 4.25Å; I69-V93 HydrophobicContact CG2-CB 4.31Å; I69-V93 HydrophobicContact CG2-CG1 4.19Å; I69-V93 HydrophobicContact CG2-CG2 4.39Å
70A96Very high95.6Very high38 Ų3889.1 Ų89.131%0.31442%0.423SS..Hα-helixtrans-63.3-46.4173.700000111.2N66 E67 L72 K73 D74N66-A70 PolarHBondContact O-N 3.02Å; E67-A70 WeakPolarHBondContact O-CB 3.15Å; E67-A70 PolarHBondContact O-N 3.45Å; E67-A70 VanDerWaalsContact O-N 3.14Å; A70-L72 PolarHBondContact O-N 3.22Å; A70-K73 WeakPolarHBondContact O-CB 3.28Å; A70-K73 PolarHBondContact O-N 3.44Å; A70-K73 VanDerWaalsContact O-N 3.12Å; A70-D74 PolarHBondContact O-N 3.46Å
71Q97.2Very high95.1Very high99 Ų9983.9 Ų83.946%0.46340%0.401SS..Hα-helixtrans-60.5-43.1175.6-67.81725.600112.3E67 C68 K73 D74 L75E67-Q71 WeakPolarHBondContact O-CG 3.34Å; E67-Q71 PolarHBondContact O-N 3.01Å; E67-Q71 PolarHBondContact OE1-NE2 3.29Å; C68-Q71 PolarHBondContact O-N 3.15Å; Q71-K73 VanDerWaalsContact C-N 3.34Å; Q71-K73 PolarHBondContact O-N 3.48Å; Q71-D74 PolarHBondContact O-N 3.46Å; Q71-L75 WeakPolarHBondContact O-CB 3.15Å; Q71-L75 WeakPolarHBondContact O-CG 3.26Å; Q71-L75 PolarHBondContact O-N 2.94Å
72L96.9Very high94.4Very high58 Ų5883.6 Ų83.630%0.30441%0.409SS..Hα-helixtrans-60.3-43173-74.8-179.1000112.1C68 I69 A70 D74 L75 L76 V93 L94 T97C68-L72 WeakPolarHBondContact O-CG 3.21Å; C68-L72 PolarHBondContact O-N 3.43Å; I69-L72 PolarHBondContact O-N 2.73Å; A70-L72 PolarHBondContact O-N 3.22Å; L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.44Å; L72-L75 PolarHBondContact O-N 3.04Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.33Å; L72-V93 HydrophobicContact CB-CG1 3.91Å; L72-L94 HydrophobicContact CD1-CD2 4.1Å; L72-T97 HydrophobicContact CD2-CG2 3.96Å
73K94.8Very high93.5Very high77 Ų7782.7 Ų82.734%0.33542%0.417SS..Hα-helixtrans-59.9-41.1176.1-171.4-154.368.9175.70111I69 A70 Q71 L76 K81 L88 V93I69-K73 WeakPolarHBondContact O-CB 3.49Å; I69-K73 PolarHBondContact O-N 2.84Å; A70-K73 WeakPolarHBondContact O-CB 3.28Å; A70-K73 PolarHBondContact O-N 3.44Å; A70-K73 VanDerWaalsContact O-N 3.12Å; Q71-K73 VanDerWaalsContact C-N 3.34Å; Q71-K73 PolarHBondContact O-N 3.48Å; K73-L76 WeakPolarHBondContact O-CB 3.46Å; K73-L76 PolarHBondContact O-N 2.81Å; K73-K81 WeakPolarHBondContact O-CE 3.39Å; K73-L88 HydrophobicContact CD-CB 4.36Å; K73-L88 HydrophobicContact CD-CD1 4.36Å; K73-L88 HydrophobicContact CG-CB 4.16Å; K73-L88 HydrophobicContact CG-CD1 3.57Å; K73-L88 HydrophobicContact CG-CG 4.48Å; K73-V93 HydrophobicContact CB-CG1 4Å; K73-V93 HydrophobicContact CB-CG2 3.91Å; K73-V93 HydrophobicContact CG-CG2 3.94Å
74D94Very high92.2Very high99 Ų9981.4 Ų81.453%0.52941%0.412SS..Hα-helixtrans-76.3-31.6-177-64.3-20.6000112.4A70 Q71 L72 L76 K81A70-D74 PolarHBondContact O-N 3.46Å; Q71-D74 PolarHBondContact O-N 3.46Å; L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.44Å; D74-L76 VanDerWaalsContact C-N 3.28Å; D74-L76 PolarHBondContact O-N 3.42Å; D74-K81 PolarHBondContact O-NZ 3.3Å
75L95.3Very high91Very high137 Ų13780.3 Ų80.372%0.71742%0.42SS*.Hα-helixtrans-70.1-16171.7-71.3171.3000114.3Q71 L72Q71-L75 WeakPolarHBondContact O-CB 3.15Å; Q71-L75 WeakPolarHBondContact O-CG 3.26Å; Q71-L75 PolarHBondContact O-N 2.94Å; L72-L75 PolarHBondContact O-N 3.04Å
76L94.6Very high89.8Confident5 Ų579.4 Ų79.43%0.02643%0.428CS..SBendtrans-65141.5179.3-78.3171000112.4L72 K73 D74 L80 K81 L88 V93 L96 H100L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.33Å; K73-L76 WeakPolarHBondContact O-CB 3.46Å; K73-L76 PolarHBondContact O-N 2.81Å; D74-L76 VanDerWaalsContact C-N 3.28Å; D74-L76 PolarHBondContact O-N 3.42Å; L76-L80 HydrophobicContact CD2-CD1 4.35Å; L76-K81 HydrophobicContact CB-CD 4.45Å; L76-K81 HydrophobicContact CB-CG 4Å; L76-K81 WeakPolarHBondContact O-CD 3.35Å; L76-K81 WeakPolarHBondContact O-CE 3.46Å; L76-K81 PolarHBondContact O-NZ 2.78Å; L76-L88 HydrophobicContact CD1-CD1 4.15Å; L76-V93 HydrophobicContact CD1-CG1 4.4Å; L76-L96 HydrophobicContact CD1-CB 3.74Å; L76-L96 HydrophobicContact CD1-CD1 4.21Å; L76-L96 HydrophobicContact CD2-CB 3.85Å; L76-L96 HydrophobicContact CG-CB 4.48Å; L76-H100 HydrophobicContact CD2-CB 4.33Å
77P92.6Very high89.1Confident26 Ų2683.8 Ų83.817%0.16945%0.446CS..  trans-56.4143.4169.7-25.232.3000113.1H79 L80 K81 H100P77-H79 VanDerWaalsContact C-N 3.3Å; P77-H79 WeakPolarHBondContact CB-CE1 3.13Å; P77-H79 PolarHBondContact O-N 3.27Å; P77-L80 HydrophobicContact CB-CG 4.44Å; P77-L80 HydrophobicContact CG-CD1 4.32Å; P77-L80 PolarHBondContact O-N 3.47Å; P77-K81 PolarHBondContact O-N 3.06Å; P77-K81 VanDerWaalsContact O-N 3.09Å; P77-H100 VanDerWaalsContact CG-CE1 3.47Å; P77-H100 WeakPolarHBondContact CG-CE1 3.25Å
78E90.6Very high88.7Confident147 Ų14779.7 Ų79.769%0.68743%0.427SS*.Hα-helixtrans-56.9-41.1-179.3-64.2-174.8168.500113L80 K81 L82E78-L80 PolarHBondContact O-N 2.67Å; E78-K81 WeakPolarHBondContact O-CB 3.32Å; E78-K81 PolarHBondContact O-N 3.15Å; E78-K81 VanDerWaalsContact O-N 3.12Å; E78-L82 WeakPolarHBondContact O-CB 3.27Å; E78-L82 VanDerWaalsContact O-CG 3.27Å; E78-L82 WeakPolarHBondContact O-CG 3.26Å; E78-L82 PolarHBondContact O-N 3.26Å
79H87.6Confident88.5Confident137 Ų13783.1 Ų83.163%0.63444%0.438SS*.Hα-helixtrans-62.7-27.217861.2-99.6000113.3P77P77-H79 VanDerWaalsContact C-N 3.3Å; P77-H79 WeakPolarHBondContact CB-CE1 3.13Å; P77-H79 PolarHBondContact O-N 3.27Å
80L86.5Confident88.4Confident32 Ų3287.3 Ų87.317%0.16846%0.455CS..Hα-helixtrans-79.7-41.6172.2-64.3-173.6000111.4L76 P77 E78 L82 T83 L96 H100L76-L80 HydrophobicContact CD2-CD1 4.35Å; P77-L80 HydrophobicContact CB-CG 4.44Å; P77-L80 HydrophobicContact CG-CD1 4.32Å; P77-L80 PolarHBondContact O-N 3.47Å; E78-L80 PolarHBondContact O-N 2.67Å; L80-L82 PolarHBondContact O-N 3.06Å; L80-T83 VanDerWaalsContact O-CG2 3.31Å; L80-T83 WeakPolarHBondContact O-CG2 3.43Å; L80-T83 PolarHBondContact O-N 3.12Å; L80-L96 HydrophobicContact CB-CD1 4.26Å; L80-L96 HydrophobicContact CB-CD2 4.24Å; L80-L96 HydrophobicContact CD2-CD2 4.39Å; L80-L96 WeakPolarHBondContact O-CD1 3.43Å; L80-H100 HydrophobicContact CD1-CB 3.94Å
81K86.3Confident88.4Confident52 Ų5288.7 Ų88.723%0.22647%0.466CS..Hα-helixtrans-59.6-43.8175.6-69.1163.2166.7155.90112.4K73 D74 L76 P77 E78 T83 T84 L88K73-K81 WeakPolarHBondContact O-CE 3.39Å; D74-K81 PolarHBondContact O-NZ 3.3Å; L76-K81 HydrophobicContact CB-CD 4.45Å; L76-K81 HydrophobicContact CB-CG 4Å; L76-K81 WeakPolarHBondContact O-CD 3.35Å; L76-K81 WeakPolarHBondContact O-CE 3.46Å; L76-K81 PolarHBondContact O-NZ 2.78Å; P77-K81 PolarHBondContact O-N 3.06Å; P77-K81 VanDerWaalsContact O-N 3.09Å; E78-K81 WeakPolarHBondContact O-CB 3.32Å; E78-K81 PolarHBondContact O-N 3.15Å; E78-K81 VanDerWaalsContact O-N 3.12Å; K81-T83 VanDerWaalsContact C-N 3.27Å; K81-T83 PolarHBondContact O-N 2.74Å; K81-T84 PolarHBondContact O-N 3.32Å; K81-L88 HydrophobicContact CB-CD1 4.4Å; K81-L88 HydrophobicContact CG-CD1 4.01Å
82L83.3Confident88.2Confident134 Ų13485.6 Ų85.670%0.70245%0.454SS*.Hα-helixtrans-70.6-20.9-177.7-69.4170.7000113.3E78 L80 T84E78-L82 WeakPolarHBondContact O-CB 3.27Å; E78-L82 VanDerWaalsContact O-CG 3.27Å; E78-L82 WeakPolarHBondContact O-CG 3.26Å; E78-L82 PolarHBondContact O-N 3.26Å; L80-L82 PolarHBondContact O-N 3.06Å; L82-T84 PolarHBondContact O-N 2.75Å; L82-T84 VanDerWaalsContact O-N 3.15Å
83T79.4Confident88.2Confident103 Ų10382.9 Ų82.963%0.63244%0.44SS*.THydrogen-bonded Turntrans-64.5-17.3177-133.70000112.9L80 K81 L96L80-T83 VanDerWaalsContact O-CG2 3.31Å; L80-T83 WeakPolarHBondContact O-CG2 3.43Å; L80-T83 PolarHBondContact O-N 3.12Å; K81-T83 VanDerWaalsContact C-N 3.27Å; K81-T83 PolarHBondContact O-N 2.74Å; T83-L96 HydrophobicContact CG2-CD2 4.47Å
84T72.2Confident88.3Confident50 Ų5083.6 Ų83.631%0.30745%0.447SS..THydrogen-bonded Turntrans-136.258.4-178.4440000112.3K81 L82 G86 L88 V92K81-T84 PolarHBondContact O-N 3.32Å; L82-T84 PolarHBondContact O-N 2.75Å; L82-T84 VanDerWaalsContact O-N 3.15Å; T84-G86 PolarHBondContact O-N 3.27Å; T84-L88 WeakPolarHBondContact OG1-CD2 3.4Å; T84-V92 HydrophobicContact CG2-CG1 4.11Å
85L72.8Confident88.4Confident167 Ų16783.7 Ų83.787%0.87444%0.444SS*.THydrogen-bonded Turntrans51.322163.1-153.3127.1000116.2H87L85-H87 PolarHBondContact O-N 3.21Å
86G72.4Confident88.4Confident52 Ų5277.5 Ų77.554%0.53641%0.412SS..SBendtrans70.1-29-178.100000116.1T84 L88T84-G86 PolarHBondContact O-N 3.27Å; G86-L88 PolarHBondContact O-N 2.81Å; G86-L88 VanDerWaalsContact O-N 3.13Å
87H84.8Confident88.5Confident157 Ų15778.5 Ų78.573%0.72742%0.418SS*.  trans-85.779.8176.1-164.378.2000111.4L85 E89L85-H87 PolarHBondContact O-N 3.21Å; H87-E89 PolarHBondContact O-N 2.87Å
88L89.1Confident88.7Confident19 Ų1981.8 Ų81.810%0.09943%0.434CS..  trans-73.3111.8177.5-73.4167.6000111.8K73 L76 K81 T84 G86 V92 V93 L96K73-L88 HydrophobicContact CD-CB 4.36Å; K73-L88 HydrophobicContact CD-CD1 4.36Å; K73-L88 HydrophobicContact CG-CB 4.16Å; K73-L88 HydrophobicContact CG-CD1 3.57Å; K73-L88 HydrophobicContact CG-CG 4.48Å; L76-L88 HydrophobicContact CD1-CD1 4.15Å; K81-L88 HydrophobicContact CB-CD1 4.4Å; K81-L88 HydrophobicContact CG-CD1 4.01Å; T84-L88 WeakPolarHBondContact OG1-CD2 3.4Å; G86-L88 PolarHBondContact O-N 2.81Å; G86-L88 VanDerWaalsContact O-N 3.13Å; L88-V92 HydrophobicContact CD2-CB 4.13Å; L88-V92 HydrophobicContact CD2-CG1 3.5Å; L88-V92 VanDerWaalsContact CD2-CG1 3.5Å; L88-V93 HydrophobicContact CB-CG2 3.66Å; L88-V93 HydrophobicContact CD1-CG2 4.45Å; L88-L96 HydrophobicContact CD2-CD1 3.5Å; L88-L96 VanDerWaalsContact CD2-CD1 3.5Å
89E93.8Very high89Confident130 Ų13079.5 Ų79.561%0.60742%0.422SS*.  trans-62.8154165.5-61.7-172.5176.700111.2H87 A91 V92 V93H87-E89 PolarHBondContact O-N 2.87Å; E89-A91 VanDerWaalsContact C-N 3.26Å; E89-A91 PolarHBondContact O-N 3.37Å; E89-A91 VanDerWaalsContact O-N 3.17Å; E89-V92 HydrophobicContact CB-CG2 4.14Å; E89-V92 WeakPolarHBondContact O-CA 3.18Å; E89-V92 PolarHBondContact O-N 3.13Å; E89-V93 PolarHBondContact O-N 2.82Å
90K95.7Very high89.4Confident114 Ų11475.3 Ų75.350%0.49640%0.402SS..Hα-helixtrans-55.5-37.9-177.5-65.3-176.9169.4-179.30113.7N66 I69 L94N66-K90 PolarHBondContact OD1-NZ 3.15Å; I69-K90 HydrophobicContact CD1-CD 4.14Å; I69-K90 HydrophobicContact CD1-CG 4.42Å; I69-K90 HydrophobicContact CG2-CG 4.25Å; K90-L94 WeakPolarHBondContact O-CG 3.23Å; K90-L94 PolarHBondContact O-N 3.31Å
91A95.6Very high90Very high67 Ų6777.3 Ų77.355%0.55442%0.416SS*.Hα-helixtrans-66-43.4176.200000111.4E89 L94 E95E89-A91 VanDerWaalsContact C-N 3.26Å; E89-A91 PolarHBondContact O-N 3.37Å; E89-A91 VanDerWaalsContact O-N 3.17Å; A91-L94 PolarHBondContact O-N 2.87Å; A91-E95 PolarHBondContact O-N 2.71Å
92V94.9Very high90.5Very high34 Ų3481.3 Ų81.321%0.20643%0.433CS..Hα-helixtrans-66.4-38.7179-173.50000111.2T84 L88 E89 L94 E95 L96T84-V92 HydrophobicContact CG2-CG1 4.11Å; L88-V92 HydrophobicContact CD2-CB 4.13Å; L88-V92 HydrophobicContact CD2-CG1 3.5Å; L88-V92 VanDerWaalsContact CD2-CG1 3.5Å; E89-V92 HydrophobicContact CB-CG2 4.14Å; E89-V92 WeakPolarHBondContact O-CA 3.18Å; E89-V92 PolarHBondContact O-N 3.13Å; V92-L94 PolarHBondContact O-N 2.97Å; V92-E95 PolarHBondContact O-N 3.39Å; V92-L96 HydrophobicContact CG1-CD1 3.92Å; V92-L96 HydrophobicContact CG1-CG 4.09Å; V92-L96 WeakPolarHBondContact O-CB 3.48Å; V92-L96 VanDerWaalsContact O-CG 3.29Å; V92-L96 WeakPolarHBondContact O-CG 3.4Å; V92-L96 PolarHBondContact O-N 3.4Å
93V95.6Very high91.2Very high2 Ų279 Ų791%0.01243%0.425CS..Hα-helixtrans-54.7-52.4171.6178.40000110.4I69 L72 K73 L76 L88 E89 E95 L96 T97I69-V93 HydrophobicContact CG2-CB 4.31Å; I69-V93 HydrophobicContact CG2-CG1 4.19Å; I69-V93 HydrophobicContact CG2-CG2 4.39Å; L72-V93 HydrophobicContact CB-CG1 3.91Å; K73-V93 HydrophobicContact CB-CG1 4Å; K73-V93 HydrophobicContact CB-CG2 3.91Å; K73-V93 HydrophobicContact CG-CG2 3.94Å; L76-V93 HydrophobicContact CD1-CG1 4.4Å; L88-V93 HydrophobicContact CB-CG2 3.66Å; L88-V93 HydrophobicContact CD1-CG2 4.45Å; E89-V93 PolarHBondContact O-N 2.82Å; V93-E95 PolarHBondContact O-N 2.95Å; V93-L96 PolarHBondContact O-N 3.24Å; V93-T97 WeakPolarHBondContact O-CB 3.37Å; V93-T97 PolarHBondContact O-N 2.98Å; V93-T97 PolarHBondContact O-OG1 3.38Å
94L97.1Very high92.1Very high92 Ų9278 Ų7848%0.48242%0.415SS..Hα-helixtrans-63.7-40.5-178.5-65.8172.6000112.5L72 K90 A91 V92 T97 L98L72-L94 HydrophobicContact CD1-CD2 4.1Å; K90-L94 WeakPolarHBondContact O-CG 3.23Å; K90-L94 PolarHBondContact O-N 3.31Å; A91-L94 PolarHBondContact O-N 2.87Å; V92-L94 PolarHBondContact O-N 2.97Å; L94-T97 PolarHBondContact O-N 3.41Å; L94-L98 WeakPolarHBondContact O-CB 3.15Å; L94-L98 PolarHBondContact O-N 3.49Å
95E95.8Very high93.3Very high101 Ų10178.8 Ų78.847%0.47242%0.423SS..Hα-helixtrans-65.3-46.1177.8-167.9-168.1151.200112A91 V92 V93 T97 L98 K99A91-E95 PolarHBondContact O-N 2.71Å; V92-E95 PolarHBondContact O-N 3.39Å; V93-E95 PolarHBondContact O-N 2.95Å; E95-T97 VanDerWaalsContact C-N 3.34Å; E95-L98 PolarHBondContact O-N 2.82Å; E95-K99 WeakPolarHBondContact O-CG 3.32Å; E95-K99 PolarHBondContact O-N 3.34Å; E95-K99 WeakPolarHBondContact OE1-CE 3.26Å; E95-K99 IonicContact OE1-NZ 2.62Å; E95-K99 PolarHBondContact OE1-NZ 3.46Å
96L95.7Very high94.5Very high7 Ų773.5 Ų73.54%0.03740%0.403CS..Hα-helixtrans-66.1-37176.3-67.3179.3000111.5L76 L80 T83 L88 V92 V93 K99 H100L76-L96 HydrophobicContact CD1-CB 3.74Å; L76-L96 HydrophobicContact CD1-CD1 4.21Å; L76-L96 HydrophobicContact CD2-CB 3.85Å; L76-L96 HydrophobicContact CG-CB 4.48Å; L80-L96 HydrophobicContact CB-CD1 4.26Å; L80-L96 HydrophobicContact CB-CD2 4.24Å; L80-L96 HydrophobicContact CD2-CD2 4.39Å; L80-L96 WeakPolarHBondContact O-CD1 3.43Å; T83-L96 HydrophobicContact CG2-CD2 4.47Å; L88-L96 HydrophobicContact CD2-CD1 3.5Å; L88-L96 VanDerWaalsContact CD2-CD1 3.5Å; V92-L96 HydrophobicContact CG1-CD1 3.92Å; V92-L96 HydrophobicContact CG1-CG 4.09Å; V92-L96 WeakPolarHBondContact O-CB 3.48Å; V92-L96 VanDerWaalsContact O-CG 3.29Å; V92-L96 WeakPolarHBondContact O-CG 3.4Å; V92-L96 PolarHBondContact O-N 3.4Å; V93-L96 PolarHBondContact O-N 3.24Å; L96-K99 HydrophobicContact CD2-CD 4.39Å; L96-K99 PolarHBondContact O-N 2.89Å; L96-H100 WeakPolarHBondContact O-CB 3.29Å; L96-H100 PolarHBondContact O-N 3.25Å
97T97.2Very high95.7Very high26 Ų2674.6 Ų74.616%0.1640%0.399CS..Hα-helixtrans-62.4-44.7174.4-62.60000110.2L72 V93 L94 E95 K99 H100 V101L72-T97 HydrophobicContact CD2-CG2 3.96Å; V93-T97 WeakPolarHBondContact O-CB 3.37Å; V93-T97 PolarHBondContact O-N 2.98Å; V93-T97 PolarHBondContact O-OG1 3.38Å; L94-T97 PolarHBondContact O-N 3.41Å; E95-T97 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 2.86Å; T97-H100 PolarHBondContact O-N 2.87Å; T97-V101 HydrophobicContact CG2-CG2 4.35Å; T97-V101 WeakPolarHBondContact O-CG2 3.32Å; T97-V101 PolarHBondContact O-N 2.79Å
98L97.3Very high96.4Very high94 Ų9472.3 Ų72.349%0.49239%0.392SS..Hα-helixtrans-62.7-41.9176.7-178.262.5000112.2L94 E95 K102L94-L98 WeakPolarHBondContact O-CB 3.15Å; L94-L98 PolarHBondContact O-N 3.49Å; E95-L98 PolarHBondContact O-N 2.82Å; L98-K102 HydrophobicContact CD1-CD 4.48Å; L98-K102 HydrophobicContact CG-CD 4.39Å; L98-K102 WeakPolarHBondContact O-CB 3.37Å; L98-K102 VanDerWaalsContact O-CG 3.31Å; L98-K102 WeakPolarHBondContact O-CG 3.37Å; L98-K102 PolarHBondContact O-N 3.37Å
99K96.1Very high96.8Very high99 Ų9977 Ų7743%0.4341%0.413SS..Hα-helixtrans-60.6-48174-73.2172.7-174.7169.60111E95 L96 T97 K102 T103E95-K99 WeakPolarHBondContact O-CG 3.32Å; E95-K99 PolarHBondContact O-N 3.34Å; E95-K99 WeakPolarHBondContact OE1-CE 3.26Å; E95-K99 IonicContact OE1-NZ 2.62Å; E95-K99 PolarHBondContact OE1-NZ 3.46Å; L96-K99 HydrophobicContact CD2-CD 4.39Å; L96-K99 PolarHBondContact O-N 2.89Å; T97-K99 PolarHBondContact O-N 2.86Å; K99-K102 PolarHBondContact O-N 3.05Å; K99-T103 PolarHBondContact O-N 3.19Å; K99-T103 PolarHBondContact O-OG1 3.24Å
100H96.8Very high97Very high49 Ų4977.3 Ų77.323%0.22741%0.414CS..Hα-helixtrans-61.9-47.4179.6-175.943000112.4L76 P77 L80 L96 T97 K102 T103 L104L76-H100 HydrophobicContact CD2-CB 4.33Å; P77-H100 VanDerWaalsContact CG-CE1 3.47Å; P77-H100 WeakPolarHBondContact CG-CE1 3.25Å; L80-H100 HydrophobicContact CD1-CB 3.94Å; L96-H100 WeakPolarHBondContact O-CB 3.29Å; L96-H100 PolarHBondContact O-N 3.25Å; T97-H100 PolarHBondContact O-N 2.87Å; H100-K102 PolarHBondContact O-N 2.86Å; H100-T103 WeakPolarHBondContact O-CB 3.32Å; H100-T103 PolarHBondContact O-N 3.27Å; H100-L104 WeakPolarHBondContact O-CG 3.49Å; H100-L104 PolarHBondContact O-N 2.81Å
101V98Very high97Very high74 Ų7477.3 Ų77.345%0.44842%0.416SS..Hα-helixtrans-60.3-44.5177.51710000111T97 T103 L104 S105T97-V101 HydrophobicContact CG2-CG2 4.35Å; T97-V101 WeakPolarHBondContact O-CG2 3.32Å; T97-V101 PolarHBondContact O-N 2.79Å; V101-T103 VanDerWaalsContact C-N 3.33Å; V101-T103 PolarHBondContact O-N 2.84Å; V101-L104 PolarHBondContact O-N 3.02Å; V101-S105 PolarHBondContact O-N 2.96Å; V101-S105 PolarHBondContact O-OG 2.76Å
102K97.9Very high97.1Very high136 Ų13679.4 Ų79.459%0.59141%0.414SS*.Hα-helixtrans-59.5-41.9174.9-75.5177.4176.3-175.20112.5L98 K99 H100 S105 A106L98-K102 HydrophobicContact CD1-CD 4.48Å; L98-K102 HydrophobicContact CG-CD 4.39Å; L98-K102 WeakPolarHBondContact O-CB 3.37Å; L98-K102 VanDerWaalsContact O-CG 3.31Å; L98-K102 WeakPolarHBondContact O-CG 3.37Å; L98-K102 PolarHBondContact O-N 3.37Å; K99-K102 PolarHBondContact O-N 3.05Å; H100-K102 PolarHBondContact O-N 2.86Å; K102-S105 PolarHBondContact O-N 3.15Å; K102-A106 PolarHBondContact O-N 3.4Å
103T97.4Very high97.2Very high86 Ų8683.4 Ų83.453%0.52843%0.431SS..Hα-helixtrans-63.9-43.7175.4-55.50000111.7K99 H100 V101 A106 V107K99-T103 PolarHBondContact O-N 3.19Å; K99-T103 PolarHBondContact O-OG1 3.24Å; H100-T103 WeakPolarHBondContact O-CB 3.32Å; H100-T103 PolarHBondContact O-N 3.27Å; V101-T103 VanDerWaalsContact C-N 3.33Å; V101-T103 PolarHBondContact O-N 2.84Å; T103-A106 PolarHBondContact O-N 3.48Å; T103-V107 WeakPolarHBondContact O-CG2 3.28Å; T103-V107 PolarHBondContact O-N 3.12Å
104L97.9Very high97.2Very high83 Ų8390 Ų9044%0.43546%0.46SS..Hα-helixtrans-61.6-44.9175.4-70.7177.5000111.8H100 V101 A106 V107 L108H100-L104 WeakPolarHBondContact O-CG 3.49Å; H100-L104 PolarHBondContact O-N 2.81Å; V101-L104 PolarHBondContact O-N 3.02Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-A106 PolarHBondContact O-N 3.29Å; L104-V107 PolarHBondContact O-N 3.09Å; L104-L108 WeakPolarHBondContact O-CG 3.23Å; L104-L108 PolarHBondContact O-N 3.4Å
105S98Very high97.1Very high66 Ų6688.9 Ų88.946%0.46245%0.453SS..Hα-helixtrans-58.5-44.4175.9-62.80000112.2V101 K102 V107 L108 E109V101-S105 PolarHBondContact O-N 2.96Å; V101-S105 PolarHBondContact O-OG 2.76Å; K102-S105 PolarHBondContact O-N 3.15Å; S105-V107 PolarHBondContact O-N 2.88Å; S105-L108 PolarHBondContact O-N 3.28Å; S105-E109 WeakPolarHBondContact O-CB 3.16Å; S105-E109 PolarHBondContact O-N 2.89Å
106A98.3Very high97.1Very high55 Ų5587.7 Ų87.746%0.45545%0.452SS..Hα-helixtrans-63.9-38.6176.800000112.7K102 T103 L104 E109 Q110K102-A106 PolarHBondContact O-N 3.4Å; T103-A106 PolarHBondContact O-N 3.48Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-A106 PolarHBondContact O-N 3.29Å; A106-E109 PolarHBondContact O-N 3.42Å; A106-Q110 WeakPolarHBondContact O-CB 3.27Å; A106-Q110 PolarHBondContact O-N 2.96Å
107V97.7Very high97Very high76 Ų7689.6 Ų89.646%0.46147%0.469SS..Hα-helixtrans-68.2-39.6175.6171.20000111.7T103 L104 S105 Q110 Q111T103-V107 WeakPolarHBondContact O-CG2 3.28Å; T103-V107 PolarHBondContact O-N 3.12Å; L104-V107 PolarHBondContact O-N 3.09Å; S105-V107 PolarHBondContact O-N 2.88Å; V107-Q110 PolarHBondContact O-N 3.01Å; V107-Q111 WeakPolarHBondContact O-CB 3.34Å; V107-Q111 PolarHBondContact O-N 2.73Å
108L97.9Very high96.8Very high109 Ų10992.8 Ų92.857%0.57149%0.485SS*.Hα-helixtrans-65.7-41.5175-70.2172.6000111.5L104 S105 Q111 Q112L104-L108 WeakPolarHBondContact O-CG 3.23Å; L104-L108 PolarHBondContact O-N 3.4Å; S105-L108 PolarHBondContact O-N 3.28Å; L108-Q111 PolarHBondContact O-N 3.23Å; L108-Q112 WeakPolarHBondContact O-CB 3.37Å; L108-Q112 PolarHBondContact O-N 3.33Å
109E97.6Very high96.5Very high118 Ų11893.5 Ų93.555%0.55149%0.486SS*.Hα-helixtrans-63.4-46.4174.9-171.6-177.9174.100111.4S105 A106 Q111 Q112 Q113S105-E109 WeakPolarHBondContact O-CB 3.16Å; S105-E109 PolarHBondContact O-N 2.89Å; A106-E109 PolarHBondContact O-N 3.42Å; E109-Q111 VanDerWaalsContact C-N 3.3Å; E109-Q111 PolarHBondContact O-N 3.44Å; E109-Q112 PolarHBondContact O-N 3.39Å; E109-Q113 WeakPolarHBondContact O-CG 3.25Å; E109-Q113 PolarHBondContact O-N 3.33Å; E109-Q113 PolarHBondContact OE1-NE2 3.48Å
110Q97.6Very high96Very high135 Ų13595.4 Ų95.463%0.63149%0.494SS*.Hα-helixtrans-60.1-40.2175-173.5-174.12.200111.8A106 V107 K114A106-Q110 WeakPolarHBondContact O-CB 3.27Å; A106-Q110 PolarHBondContact O-N 2.96Å; V107-Q110 PolarHBondContact O-N 3.01Å; Q110-K114 WeakPolarHBondContact O-CB 3.33Å; Q110-K114 PolarHBondContact O-N 2.89Å
111Q97.5Very high95.4Very high115 Ų11597.7 Ų97.754%0.53751%0.508SS..Hα-helixtrans-64.8-43.9175.2-176.2178.991.400111.2V107 L108 E109 K114 I115V107-Q111 WeakPolarHBondContact O-CB 3.34Å; V107-Q111 PolarHBondContact O-N 2.73Å; L108-Q111 PolarHBondContact O-N 3.23Å; E109-Q111 VanDerWaalsContact C-N 3.3Å; E109-Q111 PolarHBondContact O-N 3.44Å; Q111-K114 PolarHBondContact O-N 2.87Å; Q111-I115 HydrophobicContact CG-CD1 4.05Å; Q111-I115 WeakPolarHBondContact O-CG1 3.34Å; Q111-I115 PolarHBondContact O-N 3.19Å
112Q97.3Very high94.4Very high110 Ų110100 Ų10051%0.51452%0.517SS..Hα-helixtrans-62.3-45176.4-175.960.442.300111.6L108 E109 K114 I115 V116L108-Q112 WeakPolarHBondContact O-CB 3.37Å; L108-Q112 PolarHBondContact O-N 3.33Å; E109-Q112 PolarHBondContact O-N 3.39Å; Q112-K114 VanDerWaalsContact C-N 3.31Å; Q112-K114 PolarHBondContact O-N 2.91Å; Q112-I115 PolarHBondContact O-N 2.88Å; Q112-V116 WeakPolarHBondContact O-CG2 3.46Å; Q112-V116 PolarHBondContact O-N 3.13Å
113Q96.8Very high92.8Very high119 Ų11998.9 Ų98.956%0.55651%0.514SS*.Hα-helixtrans-59.9-41.1174.7-71176.311.500111.4E109 V116 A117E109-Q113 WeakPolarHBondContact O-CG 3.25Å; E109-Q113 PolarHBondContact O-N 3.33Å; E109-Q113 PolarHBondContact OE1-NE2 3.48Å; Q113-V116 PolarHBondContact O-N 2.82Å; Q113-A117 WeakPolarHBondContact O-CB 3.36Å; Q113-A117 PolarHBondContact O-N 3.38Å
114K96.2Very high90.9Very high141 Ų14199.6 Ų99.661%0.61351%0.513SS*.Hα-helixtrans-65.7-40.6175.7-173.3177.4-179.2-179.50112.5Q110 Q111 Q112 A117 L118Q110-K114 WeakPolarHBondContact O-CB 3.33Å; Q110-K114 PolarHBondContact O-N 2.89Å; Q111-K114 PolarHBondContact O-N 2.87Å; Q112-K114 VanDerWaalsContact C-N 3.31Å; Q112-K114 PolarHBondContact O-N 2.91Å; K114-A117 PolarHBondContact O-N 3.39Å; K114-L118 HydrophobicContact CG-CD1 4.21Å; K114-L118 VanDerWaalsContact O-CG 3.32Å; K114-L118 WeakPolarHBondContact O-CG 3.41Å; K114-L118 PolarHBondContact O-N 3.43Å
115I95.1Very high88.8Confident67 Ų6797.7 Ų97.734%0.34451%0.514SS..Hα-helixtrans-62.5-46.2174.9-69.5164.2000110Q111 Q112 A117 L118 Q119Q111-I115 HydrophobicContact CG-CD1 4.05Å; Q111-I115 WeakPolarHBondContact O-CG1 3.34Å; Q111-I115 PolarHBondContact O-N 3.19Å; Q112-I115 PolarHBondContact O-N 2.88Å; I115-A117 VanDerWaalsContact C-N 3.35Å; I115-A117 PolarHBondContact O-N 3.34Å; I115-L118 PolarHBondContact O-N 3.18Å; I115-Q119 HydrophobicContact CG2-CG 4.32Å; I115-Q119 WeakPolarHBondContact O-CB 3.27Å; I115-Q119 VanDerWaalsContact O-CG 3.28Å; I115-Q119 WeakPolarHBondContact O-CG 3.4Å; I115-Q119 PolarHBondContact O-N 3.03Å
116V94.4Very high86.8Confident76 Ų76100.4 Ų100.446%0.46152%0.523SS..Hα-helixtrans-64.5-37.6178.1172.20000111.9Q112 Q113 Q119 K120Q112-V116 WeakPolarHBondContact O-CG2 3.46Å; Q112-V116 PolarHBondContact O-N 3.13Å; Q113-V116 PolarHBondContact O-N 2.82Å; V116-Q119 PolarHBondContact O-N 3.03Å; V116-K120 WeakPolarHBondContact O-CB 3.17Å; V116-K120 PolarHBondContact O-N 3.39Å
117A94.1Very high84.4Confident47 Ų47102.9 Ų102.939%0.38853%0.529SS..Hα-helixtrans-63-50.6173.700000111.5Q113 K114 I115 Q119 K120 D121Q113-A117 WeakPolarHBondContact O-CB 3.36Å; Q113-A117 PolarHBondContact O-N 3.38Å; K114-A117 PolarHBondContact O-N 3.39Å; I115-A117 VanDerWaalsContact C-N 3.35Å; I115-A117 PolarHBondContact O-N 3.34Å; A117-Q119 VanDerWaalsContact C-N 3.31Å; A117-Q119 PolarHBondContact O-N 3.36Å; A117-K120 CarbonylContact O-C 3.58Å; A117-K120 WeakPolarHBondContact O-CA 3.24Å; A117-K120 WeakPolarHBondContact O-CB 3.17Å; A117-K120 PolarHBondContact O-N 3.45Å; A117-D121 VanDerWaalsContact O-CG 3.24Å; A117-D121 PolarHBondContact O-N 2.88Å
118L93.4Very high82.2Confident94 Ų94102.6 Ų102.649%0.49253%0.527SS..Hα-helixtrans-62.9-36.5177.1-69171.1000112.7K114 I115 D121 L122K114-L118 HydrophobicContact CG-CD1 4.21Å; K114-L118 VanDerWaalsContact O-CG 3.32Å; K114-L118 WeakPolarHBondContact O-CG 3.41Å; K114-L118 PolarHBondContact O-N 3.43Å; I115-L118 PolarHBondContact O-N 3.18Å; L118-D121 PolarHBondContact O-N 3.22Å; L118-L122 PolarHBondContact O-N 2.92Å
119Q90.1Very high79.9Confident108 Ų108101.5 Ų101.551%0.50554%0.543SS..Hα-helixtrans-65.3-39.1172.2-77.8176.6-30.300111.5I115 V116 A117 Q123I115-Q119 HydrophobicContact CG2-CG 4.32Å; I115-Q119 WeakPolarHBondContact O-CB 3.27Å; I115-Q119 VanDerWaalsContact O-CG 3.28Å; I115-Q119 WeakPolarHBondContact O-CG 3.4Å; I115-Q119 PolarHBondContact O-N 3.03Å; V116-Q119 PolarHBondContact O-N 3.03Å; A117-Q119 VanDerWaalsContact C-N 3.31Å; A117-Q119 PolarHBondContact O-N 3.36Å; Q119-Q123 WeakPolarHBondContact O-CB 3.42Å; Q119-Q123 VanDerWaalsContact O-CG 3.23Å; Q119-Q123 WeakPolarHBondContact O-CG 3.39Å; Q119-Q123 PolarHBondContact O-N 2.85Å
120K86.8Confident77.7Confident139 Ų13998.8 Ų98.860%0.60453%0.532SS*.Hα-helixtrans-65.2-40.7173.8-175.3-177.1175.4-174.30111.1V116 A117 Q123 I124V116-K120 WeakPolarHBondContact O-CB 3.17Å; V116-K120 PolarHBondContact O-N 3.39Å; A117-K120 CarbonylContact O-C 3.58Å; A117-K120 WeakPolarHBondContact O-CA 3.24Å; A117-K120 WeakPolarHBondContact O-CB 3.17Å; A117-K120 PolarHBondContact O-N 3.45Å; K120-Q123 CarbonylContact O-C 3.6Å; K120-Q123 PolarHBondContact O-N 2.89Å; K120-I124 HydrophobicContact CG-CD1 4.04Å; K120-I124 HydrophobicContact CG-CG1 4.48Å; K120-I124 VanDerWaalsContact O-CG1 3.24Å; K120-I124 WeakPolarHBondContact O-CG1 3.5Å; K120-I124 PolarHBondContact O-N 3.41Å
121D82.6Confident75.6Confident97 Ų9794.7 Ų94.752%0.51953%0.526SS..Hα-helixtrans-65.4-41.4178.2-61.2-24000111.3A117 L118 I124 G125A117-D121 VanDerWaalsContact O-CG 3.24Å; A117-D121 PolarHBondContact O-N 2.88Å; L118-D121 PolarHBondContact O-N 3.22Å; D121-I124 PolarHBondContact O-N 3.01Å; D121-G125 PolarHBondContact O-N 3.48Å
122L77.3Confident73.6Confident124 Ų12492.1 Ų92.165%0.64953%0.525SS*.Hα-helixtrans-64.4-44.3170-109.771.6000112.2L118 I124 G125 D126L118-L122 PolarHBondContact O-N 2.92Å; L122-I124 PolarHBondContact O-N 3.49Å; L122-G125 CarbonylContact O-C 3.46Å; L122-G125 VanDerWaalsContact O-CA 3.25Å; L122-G125 WeakPolarHBondContact O-CA 3.38Å; L122-G125 PolarHBondContact O-N 3.04Å; L122-D126 PolarHBondContact O-N 3.24Å
123Q64.1Low71.8Confident111 Ų11189.9 Ų89.952%0.51951%0.514SS..Hα-helixtrans-72-12.6178.6-75.3-131.799.300113.6Q119 K120 N127Q119-Q123 WeakPolarHBondContact O-CB 3.42Å; Q119-Q123 VanDerWaalsContact O-CG 3.23Å; Q119-Q123 WeakPolarHBondContact O-CG 3.39Å; Q119-Q123 PolarHBondContact O-N 2.85Å; K120-Q123 CarbonylContact O-C 3.6Å; K120-Q123 PolarHBondContact O-N 2.89Å; Q123-N127 WeakPolarHBondContact CB-ND2 2.98Å; Q123-N127 VanDerWaalsContact CD-ND2 3.29Å; Q123-N127 WeakPolarHBondContact O-CA 3.34Å; Q123-N127 WeakPolarHBondContact O-CB 3.39Å; Q123-N127 PolarHBondContact O-N 2.92Å; Q123-N127 PolarHBondContact O-ND2 3.43Å; Q123-N127 PolarHBondContact OE1-ND2 3.44Å
124I58.1Low70.5Confident101 Ų10186.2 Ų86.252%0.51850%0.5SS..Hα-helixtrans-76.8-28.4164-73.5161.3000110.1K120 D121 L122 V128K120-I124 HydrophobicContact CG-CD1 4.04Å; K120-I124 HydrophobicContact CG-CG1 4.48Å; K120-I124 VanDerWaalsContact O-CG1 3.24Å; K120-I124 WeakPolarHBondContact O-CG1 3.5Å; K120-I124 PolarHBondContact O-N 3.41Å; D121-I124 PolarHBondContact O-N 3.01Å; L122-I124 PolarHBondContact O-N 3.49Å; I124-V128 WeakPolarHBondContact O-CG2 2.84Å
125G54.3Low69.4Low44 Ų4482.7 Ų82.745%0.45449%0.493SS..Hα-helixtrans-69.6-41.5165.900000113.2D121 L122D121-G125 PolarHBondContact O-N 3.48Å; L122-G125 CarbonylContact O-C 3.46Å; L122-G125 VanDerWaalsContact O-CA 3.25Å; L122-G125 WeakPolarHBondContact O-CA 3.38Å; L122-G125 PolarHBondContact O-N 3.04Å
126D55.6Low68.8Low122 Ų12282.9 Ų82.965%0.65249%0.492SS*.Hα-helixtrans-95.5-19.2-172-63.9-29.2000115.4L122L122-D126 PolarHBondContact O-N 3.24Å
127N48.7Very low68.2Low108 Ų10885.5 Ų85.558%0.57850%0.5SS*.  trans-105.813175.5-62.5-92.5000114Q123 G129Q123-N127 WeakPolarHBondContact CB-ND2 2.98Å; Q123-N127 VanDerWaalsContact CD-ND2 3.29Å; Q123-N127 WeakPolarHBondContact O-CA 3.34Å; Q123-N127 WeakPolarHBondContact O-CB 3.39Å; Q123-N127 PolarHBondContact O-N 2.92Å; Q123-N127 PolarHBondContact O-ND2 3.43Å; Q123-N127 PolarHBondContact OE1-ND2 3.44Å; N127-G129 VanDerWaalsContact C-N 3.31Å; N127-G129 PolarHBondContact O-N 3.46Å
128V51.7Low67.7Low69 Ų6989.5 Ų89.542%0.41851%0.512SS..SBendtrans-64.1112135.3-157.50000103.5I124 D130 T134I124-V128 WeakPolarHBondContact O-CG2 2.84Å; V128-D130 HydrophobicContact CB-CB 4.33Å; V128-D130 HydrophobicContact CG1-CB 3.59Å; V128-D130 PolarHBondContact O-N 2.97Å; V128-T134 HydrophobicContact CB-CG2 4.5Å
129G49.3Very low67.5Low87 Ų8791.2 Ų91.290%0.89752%0.516SS*.SBendtrans-71.145-178.900000111.9N127N127-G129 VanDerWaalsContact C-N 3.31Å; N127-G129 PolarHBondContact O-N 3.46Å
130D50.5Low67.4Low60 Ų6087.9 Ų87.932%0.32150%0.499SS..  trans-164.947.6-151.3-144.4-12.3000110.2V128 A132 E133 T134V128-D130 HydrophobicContact CB-CB 4.33Å; V128-D130 HydrophobicContact CG1-CB 3.59Å; V128-D130 PolarHBondContact O-N 2.97Å; D130-A132 PolarHBondContact O-N 3.47Å; D130-A132 VanDerWaalsContact O-N 3.13Å; D130-E133 HydrophobicContact CB-CB 4.45Å; D130-E133 VanDerWaalsContact CG-CB 3.47Å; D130-E133 VanDerWaalsContact CG-CG 3.43Å; D130-E133 PolarHBondContact O-N 3.48Å; D130-E133 WeakPolarHBondContact OD1-CB 3.42Å; D130-E133 VanDerWaalsContact OD1-CG 3.26Å; D130-E133 WeakPolarHBondContact OD1-CG 3.5Å; D130-E133 PolarHBondContact OD1-N 2.96Å; D130-E133 WeakPolarHBondContact OD2-CB 3.44Å; D130-E133 WeakPolarHBondContact OD2-CG 3.47Å; D130-T134 PolarHBondContact O-N 3.12Å; D130-T134 PolarHBondContact O-OG1 2.92Å
131G53.4Low67.4Low49 Ų4984.7 Ų84.751%0.50549%0.493SS..Hα-helixtrans-56.3-16.1160.100000112T134 S135G131-T134 WeakPolarHBondContact CA-OG1 3.34Å; G131-S135 WeakPolarHBondContact O-CB 3.43Å; G131-S135 PolarHBondContact O-N 3.31Å; G131-S135 PolarHBondContact O-OG 3.36Å
132A56.2Low67.8Low62 Ų6282 Ų8251%0.51249%0.488SS..Hα-helixtrans-69.3-69.116900000110.9D130 T134 S135 E136D130-A132 PolarHBondContact O-N 3.47Å; D130-A132 VanDerWaalsContact O-N 3.13Å; A132-T134 VanDerWaalsContact C-N 3.3Å; A132-T134 PolarHBondContact O-N 2.94Å; A132-S135 PolarHBondContact O-N 2.92Å; A132-S135 VanDerWaalsContact O-N 3.12Å; A132-S135 PolarHBondContact O-OG 2.9Å; A132-E136 WeakPolarHBondContact O-CB 3.31Å; A132-E136 PolarHBondContact O-N 2.88Å
133E58.7Low68.6Low62 Ų6278.7 Ų78.729%0.2947%0.469SS..Hα-helixtrans-58.6-39.6-178-69.3-55.8136.700112.3D130 S135 E136 E137D130-E133 HydrophobicContact CB-CB 4.45Å; D130-E133 VanDerWaalsContact CG-CB 3.47Å; D130-E133 VanDerWaalsContact CG-CG 3.43Å; D130-E133 PolarHBondContact O-N 3.48Å; D130-E133 WeakPolarHBondContact OD1-CB 3.42Å; D130-E133 VanDerWaalsContact OD1-CG 3.26Å; D130-E133 WeakPolarHBondContact OD1-CG 3.5Å; D130-E133 PolarHBondContact OD1-N 2.96Å; D130-E133 WeakPolarHBondContact OD2-CB 3.44Å; D130-E133 WeakPolarHBondContact OD2-CG 3.47Å; E133-S135 PolarHBondContact O-N 3.45Å; E133-E136 CarbonylContact O-C 3.57Å; E133-E136 PolarHBondContact O-N 3.43Å; E133-E137 WeakPolarHBondContact O-CB 3.33Å; E133-E137 WeakPolarHBondContact O-CG 3.43Å; E133-E137 PolarHBondContact O-N 3.34Å
134T70.1Confident69.8Low43 Ų4377.9 Ų77.926%0.26447%0.465SS..Hα-helixtrans-67.8-35.6178.252.50000113.5V128 D130 G131 A132 M138V128-T134 HydrophobicContact CB-CG2 4.5Å; D130-T134 PolarHBondContact O-N 3.12Å; D130-T134 PolarHBondContact O-OG1 2.92Å; G131-T134 WeakPolarHBondContact CA-OG1 3.34Å; A132-T134 VanDerWaalsContact C-N 3.3Å; A132-T134 PolarHBondContact O-N 2.94Å; T134-M138 VanDerWaalsContact O-CE 3.23Å; T134-M138 WeakPolarHBondContact O-CE 3.32Å; T134-M138 WeakPolarHBondContact O-CG 3.48Å; T134-M138 PolarHBondContact O-N 3.46Å; T134-M138 VanDerWaalsContact O-N 3.15Å
135S73.7Confident71.5Confident67 Ų6778.6 Ų78.647%0.46947%0.465SS..Hα-helixtrans-78.3-29.6173.370.60000112.7G131 A132 E133 M138 F139G131-S135 WeakPolarHBondContact O-CB 3.43Å; G131-S135 PolarHBondContact O-N 3.31Å; G131-S135 PolarHBondContact O-OG 3.36Å; A132-S135 PolarHBondContact O-N 2.92Å; A132-S135 VanDerWaalsContact O-N 3.12Å; A132-S135 PolarHBondContact O-OG 2.9Å; E133-S135 PolarHBondContact O-N 3.45Å; S135-M138 PolarHBondContact O-N 2.89Å; S135-F139 WeakPolarHBondContact O-CB 3.5Å; S135-F139 PolarHBondContact O-N 3.37Å
136E81.3Confident73.3Confident70 Ų7080.2 Ų80.233%0.32747%0.468SS..Hα-helixtrans-69.9-41.6172.4175155.9167.700111.3A132 E133 F139 R140A132-E136 WeakPolarHBondContact O-CB 3.31Å; A132-E136 PolarHBondContact O-N 2.88Å; E133-E136 CarbonylContact O-C 3.57Å; E133-E136 PolarHBondContact O-N 3.43Å; E136-F139 CarbonylContact O-C 3.54Å; E136-F139 PolarHBondContact O-N 3.48Å; E136-R140 HydrophobicContact CG-CG 4.12Å; E136-R140 VanDerWaalsContact O-CB 3.27Å; E136-R140 WeakPolarHBondContact O-CB 3.33Å; E136-R140 WeakPolarHBondContact O-CD 3.39Å; E136-R140 WeakPolarHBondContact O-CG 3.49Å; E136-R140 PolarHBondContact O-N 2.95Å; E136-R140 WeakPolarHBondContact OE1-CD 3.48Å; E136-R140 IonicContact OE1-CZ 2.73Å; E136-R140 IonicContact OE1-NH1 3.7Å; E136-R140 PolarHBondContact OE1-NH1 2.87Å
137E82.7Confident75.1Confident132 Ų13275 Ų7562%0.61744%0.441SS*.Hα-helixtrans-62.3-41.4171-79.5-164.113100111.7E133 R140 S141E133-E137 WeakPolarHBondContact O-CB 3.33Å; E133-E137 WeakPolarHBondContact O-CG 3.43Å; E133-E137 PolarHBondContact O-N 3.34Å; E137-R140 PolarHBondContact O-N 3.05Å; E137-S141 VanDerWaalsContact O-CB 3.26Å; E137-S141 WeakPolarHBondContact O-CB 3.35Å; E137-S141 PolarHBondContact O-N 3.32Å; E137-S141 PolarHBondContact O-OG 3.42Å
138M83.9Confident77.1Confident130 Ų13075.8 Ų75.864%0.6444%0.436SS*.Hα-helixtrans-63.2-41172.5-78.4-172.7-86.400111.9T134 S135 S141 G142T134-M138 VanDerWaalsContact O-CE 3.23Å; T134-M138 WeakPolarHBondContact O-CE 3.32Å; T134-M138 WeakPolarHBondContact O-CG 3.48Å; T134-M138 PolarHBondContact O-N 3.46Å; T134-M138 VanDerWaalsContact O-N 3.15Å; S135-M138 PolarHBondContact O-N 2.89Å; M138-S141 WeakPolarHBondContact CA-OG 3.4Å; M138-S141 PolarHBondContact O-OG 3.29Å; M138-G142 PolarHBondContact O-N 3.14Å
139F88.6Confident79.1Confident130 Ų13077 Ų7757%0.5744%0.438SS*.Hα-helixtrans-65.3-46.2174173.3-98.9000112.2S135 E136 G142 F143 V179S135-F139 WeakPolarHBondContact O-CB 3.5Å; S135-F139 PolarHBondContact O-N 3.37Å; E136-F139 CarbonylContact O-C 3.54Å; E136-F139 PolarHBondContact O-N 3.48Å; F139-G142 PolarHBondContact O-N 3.44Å; F139-F143 VanDerWaalsContact O-CB 3.28Å; F139-F143 WeakPolarHBondContact O-CB 3.34Å; F139-F143 PolarHBondContact O-N 2.86Å; F139-V179 HydrophobicContact CE1-CG1 4.41Å
140R88.1Confident81Confident39 Ų3975.4 Ų75.415%0.14741%0.411CS..Hα-helixtrans-66.2-40.6-178.9-73.7161.774.4143.4-9.7111.4E136 E137 H144 V179 L180E136-R140 HydrophobicContact CG-CG 4.12Å; E136-R140 VanDerWaalsContact O-CB 3.27Å; E136-R140 WeakPolarHBondContact O-CB 3.33Å; E136-R140 WeakPolarHBondContact O-CD 3.39Å; E136-R140 WeakPolarHBondContact O-CG 3.49Å; E136-R140 PolarHBondContact O-N 2.95Å; E136-R140 WeakPolarHBondContact OE1-CD 3.48Å; E136-R140 IonicContact OE1-CZ 2.73Å; E136-R140 IonicContact OE1-NH1 3.7Å; E136-R140 PolarHBondContact OE1-NH1 2.87Å; E137-R140 PolarHBondContact O-N 3.05Å; R140-H144 WeakPolarHBondContact O-CB 3.42Å; R140-H144 PolarHBondContact O-N 3.32Å; R140-V179 HydrophobicContact CG-CG1 3.87Å; R140-V179 PolarHBondContact NE-O 2.91Å; R140-V179 PolarHBondContact NH1-O 2.93Å; R140-L180 PolarHBondContact NH2-O 2.95Å
141S87.1Confident82.8Confident71 Ų7174.8 Ų74.850%0.49741%0.407SS..Hα-helixtrans-66.8-41.4173.660.30000112.2E137 M138 H144 F145E137-S141 VanDerWaalsContact O-CB 3.26Å; E137-S141 WeakPolarHBondContact O-CB 3.35Å; E137-S141 PolarHBondContact O-N 3.32Å; E137-S141 PolarHBondContact O-OG 3.42Å; M138-S141 WeakPolarHBondContact CA-OG 3.4Å; M138-S141 PolarHBondContact O-OG 3.29Å; S141-H144 PolarHBondContact O-N 2.6Å; S141-F145 WeakPolarHBondContact O-CB 3.38Å; S141-F145 PolarHBondContact O-N 3.06Å
142G91.3Very high84.5Confident40 Ų4078 Ų7841%0.41241%0.408SS..Hα-helixtrans-64.2-45.4173.700000113.4M138 F139 F145 C146M138-G142 PolarHBondContact O-N 3.14Å; F139-G142 PolarHBondContact O-N 3.44Å; G142-F145 PolarHBondContact O-N 2.97Å; G142-C146 PolarHBondContact O-N 2.9Å
143F92.7Very high86Confident56 Ų5681.3 Ų81.325%0.24641%0.409CS..Hα-helixtrans-59.1-49173.2173.6-88.8000111F139 F145 C146 A147 V175 A176 V179F139-F143 VanDerWaalsContact O-CB 3.28Å; F139-F143 WeakPolarHBondContact O-CB 3.34Å; F139-F143 PolarHBondContact O-N 2.86Å; F143-F145 VanDerWaalsContact C-N 3.33Å; F143-F145 PolarHBondContact O-N 3.45Å; F143-C146 PolarHBondContact O-N 3.23Å; F143-A147 HydrophobicContact CE1-CB 4.25Å; F143-A147 VanDerWaalsContact O-CB 3.27Å; F143-A147 WeakPolarHBondContact O-CB 3.29Å; F143-A147 PolarHBondContact O-N 3.14Å; F143-V175 HydrophobicContact CE2-CG1 4.02Å; F143-V175 HydrophobicContact CZ-CB 4.33Å; F143-V175 HydrophobicContact CZ-CG1 3.72Å; F143-A176 HydrophobicContact CE1-CB 3.92Å; F143-V179 HydrophobicContact CD1-CG1 4.09Å; F143-V179 HydrophobicContact CE1-CB 4.46Å; F143-V179 HydrophobicContact CG-CG1 4.44Å
144H90.8Very high87.3Confident93 Ų9379.5 Ų79.543%0.43140%0.401SS..Hα-helixtrans-63.5-37.2178.7179.8-101.6000112.3R140 S141 R148R140-H144 WeakPolarHBondContact O-CB 3.42Å; R140-H144 PolarHBondContact O-N 3.32Å; S141-H144 PolarHBondContact O-N 2.6Å; H144-R148 VanDerWaalsContact O-CB 3.22Å; H144-R148 WeakPolarHBondContact O-CB 3.31Å; H144-R148 PolarHBondContact O-N 3.32Å
145F92.1Very high87.9Confident117 Ų11781.5 Ų81.551%0.51342%0.422SS..Hα-helixtrans-62.3-49.1173.6-168.4-80.5000111.4S141 G142 F143 R148 E149S141-F145 WeakPolarHBondContact O-CB 3.38Å; S141-F145 PolarHBondContact O-N 3.06Å; G142-F145 PolarHBondContact O-N 2.97Å; F143-F145 VanDerWaalsContact C-N 3.33Å; F143-F145 PolarHBondContact O-N 3.45Å; F145-R148 PolarHBondContact O-N 3.05Å; F145-E149 PolarHBondContact O-N 3.09Å
146C93.9Very high88.2Confident78 Ų7882 Ų8253%0.52743%0.425SS..Hα-helixtrans-62.2-47.5177.3-174.50000112G142 F143 R148 E149 V150G142-C146 PolarHBondContact O-N 2.9Å; F143-C146 PolarHBondContact O-N 3.23Å; C146-R148 VanDerWaalsContact C-N 3.35Å; C146-R148 PolarHBondContact O-N 3.39Å; C146-E149 PolarHBondContact O-N 2.97Å; C146-V150 WeakPolarHBondContact O-CG2 3.12Å; C146-V150 PolarHBondContact O-N 3.1Å
147A92.3Very high87.9Confident11 Ų1181.9 Ų81.99%0.09143%0.425CS..Hα-helixtrans-57.2-46.7176.700000111.5F143 E149 V150 L151 I172F143-A147 HydrophobicContact CE1-CB 4.25Å; F143-A147 VanDerWaalsContact O-CB 3.27Å; F143-A147 WeakPolarHBondContact O-CB 3.29Å; F143-A147 PolarHBondContact O-N 3.14Å; A147-E149 PolarHBondContact O-N 3.17Å; A147-V150 PolarHBondContact O-N 3.45Å; A147-L151 WeakPolarHBondContact O-CB 3.08Å; A147-L151 WeakPolarHBondContact O-CG 3.39Å; A147-L151 PolarHBondContact O-N 3.48Å; A147-I172 HydrophobicContact CB-CG2 3.64Å
148R90.8Very high86.9Confident125 Ų12584.2 Ų84.247%0.47244%0.435SS..Hα-helixtrans-62.1-40.7177-175.917964.1-156.8-3.3112.3H144 F145 C146 L151 H152H144-R148 VanDerWaalsContact O-CB 3.22Å; H144-R148 WeakPolarHBondContact O-CB 3.31Å; H144-R148 PolarHBondContact O-N 3.32Å; F145-R148 PolarHBondContact O-N 3.05Å; C146-R148 VanDerWaalsContact C-N 3.35Å; C146-R148 PolarHBondContact O-N 3.39Å; R148-L151 PolarHBondContact O-N 3.23Å; R148-H152 VanDerWaalsContact O-CB 3.28Å; R148-H152 WeakPolarHBondContact O-CB 3.41Å; R148-H152 PolarHBondContact O-N 3.26Å
149E92.8Very high85.8Confident95 Ų9584.4 Ų84.444%0.44444%0.444SS..Hα-helixtrans-67.3-40.9178-163.458.8-130.400111.8F145 C146 A147 L151 H152 Y153F145-E149 PolarHBondContact O-N 3.09Å; C146-E149 PolarHBondContact O-N 2.97Å; A147-E149 PolarHBondContact O-N 3.17Å; E149-L151 PolarHBondContact O-N 3.28Å; E149-H152 PolarHBondContact O-N 3.25Å; E149-H152 IonicContact OE1-ND1 3.79Å; E149-H152 PolarHBondContact OE1-ND1 2.93Å; E149-Y153 WeakPolarHBondContact O-CB 3.37Å; E149-Y153 PolarHBondContact O-N 2.87Å
150V90.9Very high84.3Confident54 Ų5481.3 Ų81.333%0.32744%0.439SS..Hα-helixtrans-63.7-42174.1175.20000111.2C146 A147 Y153 L154 I172C146-V150 WeakPolarHBondContact O-CG2 3.12Å; C146-V150 PolarHBondContact O-N 3.1Å; A147-V150 PolarHBondContact O-N 3.45Å; V150-Y153 PolarHBondContact O-N 3.43Å; V150-L154 HydrophobicContact CG1-CD1 3.97Å; V150-L154 HydrophobicContact CG1-CG 4.42Å; V150-L154 WeakPolarHBondContact O-CB 3.45Å; V150-L154 VanDerWaalsContact O-CG 3.25Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 3.35Å; V150-I172 HydrophobicContact CB-CD1 4.11Å; V150-I172 HydrophobicContact CG1-CD1 3.49Å; V150-I172 VanDerWaalsContact CG1-CD1 3.49Å
151L88.5Confident83Confident46 Ų4690.5 Ų90.524%0.24147%0.474CS..Hα-helixtrans-63.9-40.7175.2-69.3173000112A147 R148 E149 L154 A155 I169 I172A147-L151 WeakPolarHBondContact O-CB 3.08Å; A147-L151 WeakPolarHBondContact O-CG 3.39Å; A147-L151 PolarHBondContact O-N 3.48Å; R148-L151 PolarHBondContact O-N 3.23Å; E149-L151 PolarHBondContact O-N 3.28Å; L151-L154 PolarHBondContact O-N 3.05Å; L151-A155 WeakPolarHBondContact O-CB 3.5Å; L151-A155 PolarHBondContact O-N 3.09Å; L151-I169 HydrophobicContact CD2-CB 3.93Å; L151-I169 HydrophobicContact CD2-CG1 3.66Å; L151-I169 HydrophobicContact CD2-CG2 3.82Å; L151-I172 HydrophobicContact CD1-CG2 4.22Å; L151-I172 HydrophobicContact CD2-CB 4.49Å; L151-I172 HydrophobicContact CD2-CG2 4.36Å; L151-I172 HydrophobicContact CG-CG2 4.2Å
152H87.9Confident81.6Confident117 Ų11794.9 Ų94.954%0.54249%0.491SS..Hα-helixtrans-64.2-46.5175.9178-115000111.7R148 E149 L154 A155 S156R148-H152 VanDerWaalsContact O-CB 3.28Å; R148-H152 WeakPolarHBondContact O-CB 3.41Å; R148-H152 PolarHBondContact O-N 3.26Å; E149-H152 PolarHBondContact O-N 3.25Å; E149-H152 IonicContact OE1-ND1 3.79Å; E149-H152 PolarHBondContact OE1-ND1 2.93Å; H152-L154 PolarHBondContact O-N 2.68Å; H152-A155 PolarHBondContact O-N 2.9Å; H152-S156 PolarHBondContact O-N 3.24Å; H152-S156 PolarHBondContact O-OG 3.48Å
153Y87.4Confident80.2Confident132 Ų13298.7 Ų98.752%0.51850%0.502SS..Hα-helixtrans-57.5-49.4174179.8-107.8000111.7E149 V150 A155 S156 Q157E149-Y153 WeakPolarHBondContact O-CB 3.37Å; E149-Y153 PolarHBondContact O-N 2.87Å; V150-Y153 PolarHBondContact O-N 3.43Å; Y153-A155 VanDerWaalsContact C-N 3.3Å; Y153-A155 PolarHBondContact O-N 2.87Å; Y153-S156 PolarHBondContact O-N 3.15Å; Y153-S156 VanDerWaalsContact O-N 3.12Å; Y153-S156 PolarHBondContact O-OG 3.23Å; Y153-Q157 HydrophobicContact CD1-CG 4.43Å; Y153-Q157 VanDerWaalsContact CE1-CD 3.47Å; Y153-Q157 HydrophobicContact CE1-CG 4.03Å; Y153-Q157 HydrophobicContact CE2-CG 4.16Å; Y153-Q157 WeakPolarHBondContact O-CG 3.39Å; Y153-Q157 PolarHBondContact O-N 2.94Å; Y153-Q157 PolarHBondContact OH-OE1 3.02Å
154L85.9Confident79.3Confident24 Ų2499.9 Ų99.913%0.12651%0.514CS..Hα-helixtrans-63.6-32.5177.9-70.4172.6000113.1V150 L151 H152 P165 V168 I169V150-L154 HydrophobicContact CG1-CD1 3.97Å; V150-L154 HydrophobicContact CG1-CG 4.42Å; V150-L154 WeakPolarHBondContact O-CB 3.45Å; V150-L154 VanDerWaalsContact O-CG 3.25Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 3.35Å; L151-L154 PolarHBondContact O-N 3.05Å; H152-L154 PolarHBondContact O-N 2.68Å; L154-P165 HydrophobicContact CD2-CB 4.33Å; L154-V168 HydrophobicContact CD1-CB 4.03Å; L154-V168 HydrophobicContact CD1-CG1 3.72Å; L154-I169 HydrophobicContact CD1-CG1 4.09Å
155A83.3Confident78.6Confident85 Ų8598.3 Ų98.370%0.70251%0.511SS*.Hα-helixtrans-73.2-29.7173.700000113.1L151 H152 Y153L151-A155 WeakPolarHBondContact O-CB 3.5Å; L151-A155 PolarHBondContact O-N 3.09Å; H152-A155 PolarHBondContact O-N 2.9Å; Y153-A155 VanDerWaalsContact C-N 3.3Å; Y153-A155 PolarHBondContact O-N 2.87Å
156S80.9Confident78Confident78 Ų7896.3 Ų96.355%0.54551%0.512SS..Hα-helixtrans-83.2-15.4176.573.10000114.5H152 Y153 E158H152-S156 PolarHBondContact O-N 3.24Å; H152-S156 PolarHBondContact O-OG 3.48Å; Y153-S156 PolarHBondContact O-N 3.15Å; Y153-S156 VanDerWaalsContact O-N 3.12Å; Y153-S156 PolarHBondContact O-OG 3.23Å; S156-E158 PolarHBondContact O-N 3.01Å; S156-E158 VanDerWaalsContact O-N 3.13Å
157Q74.1Confident77.5Confident67 Ų6798.9 Ų98.931%0.31352%0.516SS..  trans-81.291.2-179.9-82.4-159.3104.200112.2Y153 T159 S160Y153-Q157 HydrophobicContact CD1-CG 4.43Å; Y153-Q157 VanDerWaalsContact CE1-CD 3.47Å; Y153-Q157 HydrophobicContact CE1-CG 4.03Å; Y153-Q157 HydrophobicContact CE2-CG 4.16Å; Y153-Q157 WeakPolarHBondContact O-CG 3.39Å; Y153-Q157 PolarHBondContact O-N 2.94Å; Y153-Q157 PolarHBondContact OH-OE1 3.02Å; Q157-T159 PolarHBondContact O-N 3.35Å; Q157-S160 PolarHBondContact OE1-OG 2.95Å
158E60.6Low77.2Confident180 Ų180101 Ų10184%0.84153%0.527SS*.  trans-79.6103.8167.2-165.2154.5-155.700110.5S156S156-E158 PolarHBondContact O-N 3.01Å; S156-E158 VanDerWaalsContact O-N 3.13Å
159T62.6Low77Confident135 Ų13597.3 Ų97.383%0.82852%0.517SS*.  trans70.866.3166.868.60000119Q157Q157-T159 PolarHBondContact O-N 3.35Å
160S55.8Low76.8Confident65 Ų6596.1 Ų96.146%0.45552%0.519SS..  trans-105.7130.1150.458.30000110.2Q157Q157-S160 PolarHBondContact OE1-OG 2.95Å
161R61.4Low76.7Confident232 Ų23299.2 Ų99.288%0.87553%0.53SS*.THydrogen-bonded Turntrans-73.9158.2-177.6-60.4-177.8-175.6-167.30.4110.3
162D58Low76.8Confident163 Ų16398.2 Ų98.287%0.87252%0.524SS*.THydrogen-bonded Turntrans84.6-1.6167-46.7-28.1000118.9
163L61.7Low76.8Confident120 Ų12098 Ų9863%0.62852%0.524SS*.  trans-113.2133.1161.1-66176.2000110P165L163-P165 WeakPolarHBondContact O-CD 3.45Å
164T73.3Confident77Confident81 Ų8197.7 Ų97.750%0.49753%0.525SS..  trans-88.898.6169.3450000108.2S166 H167T164-S166 PolarHBondContact O-N 2.91Å; T164-S166 VanDerWaalsContact O-N 3.12Å; T164-H167 PolarHBondContact O-N 3.4Å; T164-H167 PolarHBondContact OG1-ND1 3.34Å
165P75.6Confident77.2Confident59 Ų5998.3 Ų98.338%0.38353%0.529SS..Hα-helixtrans-60.3-30.3-173.625.3-35.5000111.4L154 L163 H167 V168 I169L154-P165 HydrophobicContact CD2-CB 4.33Å; L163-P165 WeakPolarHBondContact O-CD 3.45Å; P165-H167 PolarHBondContact O-N 3.16Å; P165-V168 PolarHBondContact O-N 3.5Å; P165-I169 HydrophobicContact CB-CD1 4.17Å; P165-I169 WeakPolarHBondContact O-CB 3.37Å; P165-I169 WeakPolarHBondContact O-CD1 3.36Å; P165-I169 WeakPolarHBondContact O-CG1 3.47Å; P165-I169 PolarHBondContact O-N 3.31Å
166S80.6Confident77.4Confident75 Ų7595.1 Ų95.152%0.52450%0.503SS..Hα-helixtrans-53.9-42.3173.950.10000114.3T164 S170T164-S166 PolarHBondContact O-N 2.91Å; T164-S166 VanDerWaalsContact O-N 3.12Å; S166-S170 WeakPolarHBondContact O-CB 3.32Å; S166-S170 PolarHBondContact O-N 3.09Å
167H83.7Confident77.7Confident133 Ų13393.4 Ų93.462%0.61649%0.494SS*.Hα-helixtrans-70.4-39.4178.1-75.3109.7000111.8T164 P165 H171T164-H167 PolarHBondContact O-N 3.4Å; T164-H167 PolarHBondContact OG1-ND1 3.34Å; P165-H167 PolarHBondContact O-N 3.16Å; H167-H171 VanDerWaalsContact O-CB 3.28Å; H167-H171 WeakPolarHBondContact O-CB 3.49Å; H167-H171 PolarHBondContact O-N 3.39Å
168V85.9Confident78.3Confident54 Ų5494.8 Ų94.833%0.32750%0.5SS..Hα-helixtrans-69.6-44.3178.8-177.50000110.8L154 P165 H171 I172L154-V168 HydrophobicContact CD1-CB 4.03Å; L154-V168 HydrophobicContact CD1-CG1 3.72Å; P165-V168 PolarHBondContact O-N 3.5Å; V168-H171 PolarHBondContact O-N 3.44Å; V168-I172 HydrophobicContact CG1-CD1 3.78Å; V168-I172 HydrophobicContact CG1-CG1 4.41Å; V168-I172 WeakPolarHBondContact O-CB 3.41Å; V168-I172 VanDerWaalsContact O-CG1 3.29Å; V168-I172 WeakPolarHBondContact O-CG1 3.41Å; V168-I172 PolarHBondContact O-N 3.21Å
169I86.9Confident79.5Confident48 Ų4887.6 Ų87.625%0.24647%0.469CS..Hα-helixtrans-58.4-50174.6-69.1163.3000110.4L151 L154 P165 H171 I172 Q173L151-I169 HydrophobicContact CD2-CB 3.93Å; L151-I169 HydrophobicContact CD2-CG1 3.66Å; L151-I169 HydrophobicContact CD2-CG2 3.82Å; L154-I169 HydrophobicContact CD1-CG1 4.09Å; P165-I169 HydrophobicContact CB-CD1 4.17Å; P165-I169 WeakPolarHBondContact O-CB 3.37Å; P165-I169 WeakPolarHBondContact O-CD1 3.36Å; P165-I169 WeakPolarHBondContact O-CG1 3.47Å; P165-I169 PolarHBondContact O-N 3.31Å; I169-H171 PolarHBondContact O-N 2.81Å; I169-I172 PolarHBondContact O-N 2.95Å; I169-Q173 HydrophobicContact CG2-CG 4.48Å; I169-Q173 WeakPolarHBondContact O-CB 3.38Å; I169-Q173 VanDerWaalsContact O-CG 3.26Å; I169-Q173 WeakPolarHBondContact O-CG 3.26Å; I169-Q173 PolarHBondContact O-N 2.93Å
170S87.3Confident80.1Confident71 Ų7185.2 Ų85.250%0.49745%0.45SS..Hα-helixtrans-61.7-40.9178.1-179.10000112.3S166 Q173 K174S166-S170 WeakPolarHBondContact O-CB 3.32Å; S166-S170 PolarHBondContact O-N 3.09Å; S170-Q173 PolarHBondContact O-N 2.73Å; S170-K174 WeakPolarHBondContact O-CB 3.35Å; S170-K174 PolarHBondContact O-N 2.95Å
171H89.6Confident80.8Confident119 Ų11988.3 Ų88.355%0.55146%0.457SS*.Hα-helixtrans-64.7-47.5175.8-178.159.6000112.2H167 V168 I169 Q173 K174 V175H167-H171 VanDerWaalsContact O-CB 3.28Å; H167-H171 WeakPolarHBondContact O-CB 3.49Å; H167-H171 PolarHBondContact O-N 3.39Å; V168-H171 PolarHBondContact O-N 3.44Å; I169-H171 PolarHBondContact O-N 2.81Å; H171-Q173 VanDerWaalsContact C-N 3.33Å; H171-Q173 PolarHBondContact O-N 3.42Å; H171-K174 PolarHBondContact O-N 3.38Å; H171-V175 WeakPolarHBondContact O-CG2 3.31Å; H171-V175 PolarHBondContact O-N 3.37Å
172I90.4Very high80.7Confident24 Ų2483.8 Ų83.812%0.12345%0.451CS..Hα-helixtrans-61.6-42177.6-69.5169.7000110.9A147 V150 L151 V168 I169 V175 A176A147-I172 HydrophobicContact CB-CG2 3.64Å; V150-I172 HydrophobicContact CB-CD1 4.11Å; V150-I172 HydrophobicContact CG1-CD1 3.49Å; V150-I172 VanDerWaalsContact CG1-CD1 3.49Å; L151-I172 HydrophobicContact CD1-CG2 4.22Å; L151-I172 HydrophobicContact CD2-CB 4.49Å; L151-I172 HydrophobicContact CD2-CG2 4.36Å; L151-I172 HydrophobicContact CG-CG2 4.2Å; V168-I172 HydrophobicContact CG1-CD1 3.78Å; V168-I172 HydrophobicContact CG1-CG1 4.41Å; V168-I172 WeakPolarHBondContact O-CB 3.41Å; V168-I172 VanDerWaalsContact O-CG1 3.29Å; V168-I172 WeakPolarHBondContact O-CG1 3.41Å; V168-I172 PolarHBondContact O-N 3.21Å; I169-I172 PolarHBondContact O-N 2.95Å; I172-V175 PolarHBondContact O-N 2.84Å; I172-A176 WeakPolarHBondContact O-CB 3.24Å; I172-A176 PolarHBondContact O-N 2.91Å
173Q88.8Confident80.5Confident114 Ų11482.3 Ų82.353%0.53344%0.439SS..Hα-helixtrans-64.1-39.7175.8-73.8171.8-16.500112.2I169 S170 H171 A177I169-Q173 HydrophobicContact CG2-CG 4.48Å; I169-Q173 WeakPolarHBondContact O-CB 3.38Å; I169-Q173 VanDerWaalsContact O-CG 3.26Å; I169-Q173 WeakPolarHBondContact O-CG 3.26Å; I169-Q173 PolarHBondContact O-N 2.93Å; S170-Q173 PolarHBondContact O-N 2.73Å; H171-Q173 VanDerWaalsContact C-N 3.33Å; H171-Q173 PolarHBondContact O-N 3.42Å; Q173-A177 PolarHBondContact O-N 3.24Å
174K90.9Very high79.8Confident125 Ų12581 Ų8154%0.54344%0.44SS..Hα-helixtrans-64.5-49.1175-171.4-174.2-177.3-109.10111.9S170 H171 A176 A177 E178S170-K174 WeakPolarHBondContact O-CB 3.35Å; S170-K174 PolarHBondContact O-N 2.95Å; H171-K174 PolarHBondContact O-N 3.38Å; K174-A176 VanDerWaalsContact C-N 3.3Å; K174-A176 PolarHBondContact O-N 3.25Å; K174-A177 WeakPolarHBondContact O-CB 3.32Å; K174-A177 PolarHBondContact O-N 3.44Å; K174-E178 WeakPolarHBondContact CE-OE1 2.97Å; K174-E178 IonicContact NZ-OE1 3.4Å; K174-E178 PolarHBondContact NZ-OE1 3.32Å; K174-E178 WeakPolarHBondContact O-CG 3.43Å; K174-E178 PolarHBondContact O-N 3.46Å
175V89.6Confident77.8Confident36 Ų3681.6 Ų81.622%0.21845%0.447CS..Hα-helixtrans-65.3-36.7179177.40000110.6F143 H171 I172 E178 V179F143-V175 HydrophobicContact CE2-CG1 4.02Å; F143-V175 HydrophobicContact CZ-CB 4.33Å; F143-V175 HydrophobicContact CZ-CG1 3.72Å; H171-V175 WeakPolarHBondContact O-CG2 3.31Å; H171-V175 PolarHBondContact O-N 3.37Å; I172-V175 PolarHBondContact O-N 2.84Å; V175-E178 PolarHBondContact O-N 2.99Å; V175-V179 HydrophobicContact CG1-CG2 4.16Å; V175-V179 WeakPolarHBondContact O-CB 3.14Å; V175-V179 VanDerWaalsContact O-CG2 3.26Å; V175-V179 WeakPolarHBondContact O-CG2 3.3Å; V175-V179 PolarHBondContact O-N 3.05Å
176A88.3Confident76.3Confident18 Ų1884.8 Ų84.815%0.14947%0.468CS..Hα-helixtrans-62.2-41.1172.400000112.4F143 I172 K174 V179 L180F143-A176 HydrophobicContact CE1-CB 3.92Å; I172-A176 WeakPolarHBondContact O-CB 3.24Å; I172-A176 PolarHBondContact O-N 2.91Å; K174-A176 VanDerWaalsContact C-N 3.3Å; K174-A176 PolarHBondContact O-N 3.25Å; A176-V179 PolarHBondContact O-N 2.91Å; A176-L180 VanDerWaalsContact O-CB 3.25Å; A176-L180 WeakPolarHBondContact O-CB 3.19Å; A176-L180 WeakPolarHBondContact O-CD1 3.47Å; A176-L180 WeakPolarHBondContact O-CG 3.34Å; A176-L180 PolarHBondContact O-N 2.82Å
177A87.1Confident74Confident42 Ų4289.3 Ų89.335%0.34748%0.48SS..Hα-helixtrans-64.3-42.4173.800000112Q173 K174 L180 H181Q173-A177 PolarHBondContact O-N 3.24Å; K174-A177 WeakPolarHBondContact O-CB 3.32Å; K174-A177 PolarHBondContact O-N 3.44Å; A177-L180 PolarHBondContact O-N 3.5Å; A177-H181 WeakPolarHBondContact O-CB 3.35Å; A177-H181 PolarHBondContact O-CD2 3.27Å; A177-H181 PolarHBondContact O-N 3.21Å
178E86.8Confident72Confident96 Ų9687.9 Ų87.945%0.44948%0.483SS..Hα-helixtrans-62.7-44.6176.1-70.4170.6-177.600111.8K174 V175 L180 N182K174-E178 WeakPolarHBondContact CE-OE1 2.97Å; K174-E178 IonicContact NZ-OE1 3.4Å; K174-E178 PolarHBondContact NZ-OE1 3.32Å; K174-E178 WeakPolarHBondContact O-CG 3.43Å; K174-E178 PolarHBondContact O-N 3.46Å; V175-E178 PolarHBondContact O-N 2.99Å; E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.02Å; E178-N182 PolarHBondContact O-N 3.07Å
179V84.4Confident69.4Low30 Ų3092.5 Ų92.518%0.18251%0.506CS..Hα-helixtrans-67.7-26.4176.4169.20000112.7F139 R140 F143 V175 A176F139-V179 HydrophobicContact CE1-CG1 4.41Å; R140-V179 HydrophobicContact CG-CG1 3.87Å; R140-V179 PolarHBondContact NE-O 2.91Å; R140-V179 PolarHBondContact NH1-O 2.93Å; F143-V179 HydrophobicContact CD1-CG1 4.09Å; F143-V179 HydrophobicContact CE1-CB 4.46Å; F143-V179 HydrophobicContact CG-CG1 4.44Å; V175-V179 HydrophobicContact CG1-CG2 4.16Å; V175-V179 WeakPolarHBondContact O-CB 3.14Å; V175-V179 VanDerWaalsContact O-CG2 3.26Å; V175-V179 WeakPolarHBondContact O-CG2 3.3Å; V175-V179 PolarHBondContact O-N 3.05Å; A176-V179 PolarHBondContact O-N 2.91Å
180L76.9Confident66.8Low84 Ų84102.5 Ų102.544%0.4454%0.54SS..Hα-helixtrans-91.1-20.7178.9-70.5170.8000114.4R140 A176 A177 E178R140-L180 PolarHBondContact NH2-O 2.95Å; A176-L180 VanDerWaalsContact O-CB 3.25Å; A176-L180 WeakPolarHBondContact O-CB 3.19Å; A176-L180 WeakPolarHBondContact O-CD1 3.47Å; A176-L180 WeakPolarHBondContact O-CG 3.34Å; A176-L180 PolarHBondContact O-N 2.82Å; A177-L180 PolarHBondContact O-N 3.5Å; E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.02Å
181H69.9Low64.5Low131 Ų131104.5 Ų104.561%0.60655%0.554SS**Hα-helixtrans-104.31-175.9-69.7-51.7000115A177 E183 S184A177-H181 WeakPolarHBondContact O-CB 3.35Å; A177-H181 PolarHBondContact O-CD2 3.27Å; A177-H181 PolarHBondContact O-N 3.21Å; H181-E183 PolarHBondContact O-N 3.44Å; H181-S184 PolarHBondContact O-N 3.17Å
182N58.6Low61.7Low137 Ų137104.2 Ų104.273%0.73357%0.566SS**THydrogen-bonded Turntrans-68.8-7-171.7-131.229.9000115.1E178E178-N182 PolarHBondContact O-N 3.07Å
183E53.8Low59Low132 Ų132107.6 Ų107.662%0.61760%0.597SS**THydrogen-bonded Turntrans-78.9-16176-86.2-153.680.900115.1H181H181-E183 PolarHBondContact O-N 3.44Å
184S47.8Very low56.3Low93 Ų93113.7 Ų113.765%0.6562%0.615SS**SBendtrans-13063.3-166.667.70000115H181H181-S184 PolarHBondContact O-N 3.17Å
185S31.7Very low53.4Low93 Ų93116.8 Ų116.865%0.6563%0.632SS**  trans-155.5100.6161.1-164.70000114.8Q187S185-Q187 PolarHBondContact O-N 2.93Å; S185-Q187 VanDerWaalsContact O-N 3.15Å
186P42.6Very low50.6Low126 Ų126120.4 Ų120.482%0.81866%0.659SS**  trans-71.5101.3157.1-3.820.8000108.4P188P186-P188 VanDerWaalsContact O-CD 3.29Å; P186-P188 WeakPolarHBondContact O-CD 3.3Å
187Q32.3Very low48Very low170 Ų170126.6 Ų126.679%0.79469%0.689SS**  trans-63119.2175.7-103.2-92.7-28.900111.3S185S185-Q187 PolarHBondContact O-N 2.93Å; S185-Q187 VanDerWaalsContact O-N 3.15Å
188P41.9Very low45.4Very low103 Ų103132.4 Ų132.467%0.66971%0.709SS**  trans-90.1117.6174.433.1-28.3000111.5P186P186-P188 VanDerWaalsContact O-CD 3.29Å; P186-P188 WeakPolarHBondContact O-CD 3.3Å
189N32Very low43Very low150 Ų150131.5 Ų131.580%0.80272%0.719SS**  trans55.4118.7157.1-68.5-29.5000120
190R32.8Very low40.5Very low259 Ų259139.2 Ų139.298%0.97775%0.749SS**  trans-117.6125.6132.3-99.1-169.6173.7-160.8-0.2110.1
191S37.5Very low38.4Very low112 Ų112146.6 Ų146.678%0.78377%0.771SS**  trans-100.9149.9-173.348.90000112.7
192S32.7Very low36.9Very low114 Ų114146.2 Ų146.280%0.79778%0.781SS**  trans-164112.1139.960.90000113.5
193A33.5Very low35.5Very low95 Ų95145.9 Ų145.979%0.78578%0.784SS**  trans50.2117.2145.700000121.8
194R30.3Very low34.2Very low241 Ų241151.5 Ų151.591%0.90980%0.799SS**  -168.5106.394.4-97.5-179.5-174.5-157.50.5113.5
195E30.6Very low33.6Very low190 Ų190155.9 Ų155.989%0.88881%0.809SS**  trans7.4123.1132.7-171.3171.5-141.300119.5
196S32.2Very low34Very low113 Ų113156.6 Ų156.679%0.7981%0.812SS**  -177.7150.3112.3-1690000113.1
197D32.6Very low33.2Very low147 Ų147156.2 Ų156.279%0.78681%0.812SS**  trans-56.3172.8168-75.1-75.6000114.9
198E32.1Very low33.2Very low164 Ų164152.6 Ų152.677%0.76681%0.811SS**  cis-151.2170.521.7-156.7175.4106.300113.1K200E198-K200 IonicContact OE1-NZ 3.94Å
199A37.5Very low32.8Very low78 Ų78155.7 Ų155.765%0.64582%0.821SS**  trans-90.3154.3-177.300000115.9
200K31.3Very low33.1Very low191 Ų191154.2 Ų154.283%0.8382%0.82SS**  177.7140.3126-93.5147.8-167.4154.70113.3E198E198-K200 IonicContact OE1-NZ 3.94Å
201R32.9Very low33Very low239 Ų239151 Ų15190%0.90282%0.816SS**  trans-106.4157.6161.1-63.9-177.6169.7178.5-2.4108
202P37.6Very low32.9Very low123 Ų123149.9 Ų149.980%0.79981%0.813SS**  -148.5139.881.234.8-14.6000117.9
203V29Very low33.3Very low131 Ų131150.1 Ų150.179%0.79481%0.812SS**  trans27.8116.9137.7-171.30000120.4
204R26.7Very low33.5Very low250 Ų250150.3 Ų150.394%0.94381%0.813SS**  -163.2137.6127.5-107.2170.3-176.1175.11.5111.3
205Q36Very low34.5Very low185 Ų185149.7 Ų149.786%0.86481%0.811SS**  trans-114.2177.7169.3-81.1-170-1.900108.6
206P39.5Very low35.4Very low108 Ų108148.4 Ų148.470%0.70181%0.81SS**  cis-126.7167.6-10.734.1-17.9000114.2
207S26.6Very low36.7Very low118 Ų118148.9 Ų148.983%0.82581%0.812SS**  164.8153.3129.6480000114.6
208A30.9Very low37.7Very low94 Ų94148.2 Ų148.278%0.77781%0.813SS**  trans66.4113.2157.400000121.3
209L34.3Very low38.6Very low167 Ų167145.8 Ų145.887%0.87481%0.812SS**  trans28.1127.4141-110.676.5000121.4
210P37.7Very low39.3Very low120 Ų120148.3 Ų148.378%0.77982%0.819SS**  trans-106.1123.9155.334.8-23.2000111.9
211E31.8Very low40.4Very low192 Ų192146.4 Ų146.490%0.89782%0.816SS**  trans-154.4130.1147.8-127.8177.3157.800112.4
212A34.9Very low41.1Very low88 Ų88143.4 Ų143.473%0.72781%0.812SS**  trans-112.5160.8174.100000108.7
213P42Very low41.4Very low119 Ų119148.7 Ų148.777%0.77382%0.816SS**  trans-82.2135.8-138.229.3-36.7000115.7
214A37.3Very low41.8Very low98 Ų98147.1 Ų147.181%0.8181%0.807SS**  trans-61.4145.3167.500000112.4
215R50.5Low42.4Very low229 Ų229141.3 Ų141.386%0.86480%0.803SS**  trans-119.3122.8166.3-68.7-173.2180-123.51109.8
216N50.8Low42.5Very low163 Ų163140 Ų14087%0.87280%0.797SS**  trans59.773.6165-60-34000117.5
217C58.1Low42.4Very low123 Ų123144 Ų14483%0.83181%0.806SS**  trans-119.1127.9151.5-69.70000109.2
218V53.9Low42.8Very low132 Ų132141.7 Ų141.780%0.880%0.8SS**  trans-77.6130.7172.51790000108.2V220V218-V220 PolarHBondContact O-N 2.79Å; V218-V220 VanDerWaalsContact O-N 3.09Å
219P51.3Low43.2Very low114 Ų114144.5 Ų144.574%0.7481%0.808SS**  trans-69.1110.5-179.526.3-32.8000110.9I221P219-I221 PolarHBondContact O-N 3.45Å
220V52.3Low43.2Very low130 Ų130139.8 Ų139.879%0.78880%0.8SS**  trans-68.8119.4166.2176.20000108V218 Q222V218-V220 PolarHBondContact O-N 2.79Å; V218-V220 VanDerWaalsContact O-N 3.09Å; V220-Q222 PolarHBondContact O-N 3.07Å
221I53.8Low43.6Very low152 Ų152142.1 Ų142.178%0.77980%0.801SS**  trans-66.8100.7178.8-60.2171.8000108.9P219 R223P219-I221 PolarHBondContact O-N 3.45Å; I221-R223 PolarHBondContact O-N 3.29Å
222Q48.3Very low44.3Very low175 Ų175141.6 Ų141.682%0.81880%0.798SS**  trans-71113.4166.1-67.5-177.5-300108.5V220 T224V220-Q222 PolarHBondContact O-N 3.07Å; Q222-T224 PolarHBondContact O-N 2.82Å
223R43.1Very low45.2Very low235 Ų235143.6 Ų143.689%0.88781%0.806SS**  trans-74.8114.5165.7-81.2-176.8168.5143.4-2.7108.4I221 C225I221-R223 PolarHBondContact O-N 3.29Å; R223-C225 PolarHBondContact O-N 2.81Å
224T37.4Very low45.4Very low98 Ų98141.3 Ų141.360%0.60181%0.805SS**  trans-72.4121.5175.945.60000110.7Q222 H226Q222-T224 PolarHBondContact O-N 2.82Å; T224-H226 VanDerWaalsContact CB-NE2 3.35Å; T224-H226 WeakPolarHBondContact CB-NE2 3.38Å; T224-H226 PolarHBondContact O-N 2.75Å; T224-H226 PolarHBondContact OG1-CD2 2.76Å; T224-H226 VanDerWaalsContact OG1-CD2 3.25Å; T224-H226 PolarHBondContact OG1-NE2 3.2Å
225C39.8Very low45.8Very low127 Ų127142.1 Ų142.186%0.85880%0.804SS**  trans-7798.2166.7-65.30000108.8R223R223-C225 PolarHBondContact O-N 2.81Å
226H38.3Very low46.2Very low158 Ų158139 Ų13973%0.73181%0.805SS**  trans-86.4113.3171.4-70.2-76.4000110.4T224T224-H226 VanDerWaalsContact CB-NE2 3.35Å; T224-H226 WeakPolarHBondContact CB-NE2 3.38Å; T224-H226 PolarHBondContact O-N 2.75Å; T224-H226 PolarHBondContact OG1-CD2 2.76Å; T224-H226 VanDerWaalsContact OG1-CD2 3.25Å; T224-H226 PolarHBondContact OG1-NE2 3.2Å
227H37.4Very low46.7Very low192 Ų192136.8 Ų136.889%0.88980%0.797SS**  trans-80131.6154.9-76.6-5.9000108.5
228G34.4Very low46.8Very low69 Ų69138 Ų13871%0.71180%0.796SS**  trans152.5102.1174.300000114.2
229T39.7Very low47.1Very low153 Ų153138.8 Ų138.894%0.93980%0.801SS**  trans-10.1137.1148.542.40000118.2
230G34.4Very low47.6Very low68 Ų68140 Ų14070%0.70180%0.801SS**  trans149.2107.5157.300000114.5
231E46.5Very low47.7Very low170 Ų170139.3 Ų139.379%0.79480%0.802SS**  trans-44.8141.6168.751.4-104.458.600116.8
232Q45.3Very low47.7Very low181 Ų181135.4 Ų135.485%0.84680%0.8SS**  177.9130.1111.4-94.5173.529.700114.9
233S54.8Low47.6Very low129 Ų129138.1 Ų138.190%0.90280%0.804SS**  trans38.2122.5151-81.20000122.6
234G46.1Very low48.1Very low72 Ų72130.4 Ų130.474%0.74280%0.797SS**  trans-167.738.5168.700000115.4
235S46.3Very low48.5Very low114 Ų114129.5 Ų129.580%0.79781%0.808SS**  trans30.4106.5164.260.90000119.1
236D57.9Low48.9Very low165 Ų165131.6 Ų131.688%0.88281%0.805SS**  trans-116.4137.1144-1656000107.7
237T61.3Low49Very low115 Ų115133.5 Ų133.571%0.70681%0.814SS**  trans-98.6123.3-163.946.70000112.6
238D60.3Low49Very low150 Ų150131.5 Ų131.580%0.80281%0.81SS**  trans-51.4141.5163.6-97.5-44.7000112.2
239T60.5Low49.2Very low147 Ų147137.2 Ų137.290%0.90282%0.815SS**  trans-13168.1150.517.50000109.7
240D60.8Low49.2Very low139 Ų139135.7 Ų135.774%0.74381%0.808SS**  trans-70.1129.4153.4172.337.8000109.9
241S54.5Low49Very low117 Ų117141.9 Ų141.982%0.81882%0.815SS**  trans-174.5119.8133.7-158.30000110
242G54.5Low48.3Very low70 Ų70138.8 Ų138.872%0.72282%0.819SS**  trans-161.92-176.800000119.6
243Y46.8Very low47.7Very low231 Ų231138.8 Ų138.891%0.90682%0.819SS**  trans21.6118.8157.5-165.1-94.8000121.4
244G53.3Low46.2Very low73 Ų73144 Ų14475%0.75382%0.819SS**  108.8120.1127.100000119.7
245G44.8Very low45.6Very low80 Ų80144.9 Ų144.983%0.82581%0.814SS**  trans154.394.9161.800000114.8
246E49.7Very low44.8Very low171 Ų171147 Ų14780%0.79981%0.811SS**  trans-60.8157167-71.4-166.5106.800112.4
247H40.2Very low43.5Very low198 Ų198146.9 Ų146.992%0.91781%0.811SS**  trans-148.6140.4135.6-91.6-58.9000111.8
248D36.5Very low42Very low149 Ų149146.9 Ų146.980%0.79781%0.806SS**  trans-55.7156.7-174.7-97-71.9000117
249K39.8Very low40.6Very low190 Ų190146.7 Ų146.783%0.82680%0.801SS**  trans-69.6166.4164.5-62.2174179.8172.20110.2
250P38.5Very low39.2Very low120 Ų120150.4 Ų150.478%0.77980%0.798SS**  -140.5133.898.930.3-14.4000116
251K30.7Very low37.7Very low198 Ų198153.1 Ų153.186%0.86181%0.806SS**  trans46.2101.2143-61.4-178.1178.1-179.80119
252A31.9Very low36.6Very low106 Ų106151 Ų15188%0.87680%0.803SS**  trans-81.9132.2139.600000108.9
253Q31.9Very low35.4Very low180 Ų180156.9 Ų156.984%0.84181%0.811SS**  trans-96.9100.2174.3179177.9-4.800108.6
254W24.4Very low34.6Very low238 Ų238149.9 Ų149.990%0.90280%0.802SS**  trans-113.2114.4166.1-169.5-72.7000107.4
255S32.3Very low33.9Very low92 Ų92156.2 Ų156.264%0.64381%0.808SS**  trans-98.5114.6176.2-67.10000109
256E30.8Very low34.1Very low158 Ų158157.7 Ų157.774%0.73880%0.804SS**  trans-75.3141.6168-167.6174.4124.600109.6
257N30.8Very low33.8Very low163 Ų163155.1 Ų155.187%0.87280%0.802SS**  trans-161.1148.7159.5-96.9-36.3000110.8
258N28.7Very low33.3Very low115 Ų115150 Ų15062%0.61579%0.794SS**  trans-74156.7-157.8-80.215.6000118.2
259E30.7Very low33.1Very low146 Ų146147.3 Ų147.368%0.68279%0.787SS**  trans30.3120.6132-45.1166109.400119.6
260R31.6Very low32.7Very low224 Ų224145.5 Ų145.585%0.84578%0.781SS**  176.2141.694.2-89.5-178.2-160.5-1500.3114
261E29.4Very low32.7Very low196 Ų196149.2 Ų149.292%0.91678%0.78SS**  trans-16.1142.4148.9-170.7174.9-153.800119.1
262G31.3Very low32.9Very low72 Ų72146.5 Ų146.574%0.74277%0.773SS**  trans151.1115.7158.400000119
263E29.1Very low32.9Very low194 Ų194147.7 Ų147.791%0.90777%0.769SS**  trans46.4112.6150.5-79.6-172.298.200125.4
264A31.2Very low32.8Very low85 Ų85142.3 Ų142.370%0.70276%0.762SS**  46120.5111.700000124.5
265K37.7Very low33.1Very low205 Ų205138 Ų13889%0.89176%0.761SS**  trans86.9150.9137-88.7-171.2173.2176.50122.3
266P48.6Very low33.2Very low112 Ų112139.7 Ų139.773%0.72777%0.768SS**  trans-97.4-174.8-175.247-40000110.7
267P44.3Very low33.4Very low116 Ų116142 Ų14275%0.75378%0.775SS**  cis-158-175.241.646-22.6000120.8
268A28.9Very low33.5Very low92 Ų92142.3 Ų142.376%0.7677%0.772SS**  trans87.9132.9135.800000123.3
269S31.7Very low33.6Very low92 Ų92146 Ų14664%0.64379%0.785SS**  trans91.3123.5136.5-114.60000121.7
270E32.2Very low33.5Very low152 Ų152142.8 Ų142.871%0.7179%0.791SS**  trans68.3144.9131.8-74.9174.4136.100120.5
271R38.1Very low33.4Very low198 Ų198138.6 Ų138.675%0.74779%0.785SS**  cis-170.7174.5-21.6-137.9-179.8-170.9177.62.6107.3
272I35.4Very low33.8Very low140 Ų140137 Ų13772%0.71878%0.778SS**  trans82.3114.9148-73.6160.8000119.7
273V31.8Very low34.2Very low131 Ų131139 Ų13979%0.79478%0.778SS**  trans63.1117.9142.7177.80000118
274G29.4Very low34.3Very low67 Ų67141.2 Ų141.269%0.69178%0.778SS**  cis102.595.435.800000110.7
275V31.3Very low34.4Very low147 Ų147141.8 Ų141.889%0.89178%0.782SS**  trans-131.5125.4165.6172.90000109.4
276V33.3Very low34.4Very low128 Ų128140.1 Ų140.178%0.77678%0.775SS**  trans-75.3140.9175.9164.80000110.5
277K35.8Very low33.5Very low207 Ų207145.4 Ų145.490%0.978%0.78SS**  trans-143.8131.4146.4-151168.8-176.6178.70111.1
278Q32.6Very low32.7Very low169 Ų169147.3 Ų147.379%0.7978%0.784SS**  trans-110.5174.1-174.1-168.5176.12800109.8
279E30.3Very low32.6Very low194 Ų194154.8 Ų154.891%0.90779%0.792SS**  trans77.7145.3177.4-56.5-167108.700116.3
280G29.4Very low32.5Very low77 Ų77155.3 Ų155.379%0.79479%0.791SS**  cis-158.9-171.39.100000114.4
281D29.2Very low32.2Very low137 Ų137155 Ų15573%0.73379%0.794SS**  trans-104.1155.5-147.5-169.734.7000117.7
282Q37.4Very low31.7Very low162 Ų162149.4 Ų149.476%0.75779%0.786SS**  trans64.6150.6155.9-92.4179.980.600124.5
283P39.9Very low31.3Very low115 Ų115151.4 Ų151.475%0.74779%0.792SS**  trans-96.7161.9-176.539.7-34.1000113.8
284R31.5Very low31.2Very low240 Ų240152.6 Ų152.691%0.90679%0.794SS**  trans-101.7112175.1-80.9-175.4166-175.8-1.7113.3
285A34.3Very low31.2Very low96 Ų96158.9 Ų158.979%0.79381%0.805SS**  trans-88.1142.7163.400000111.8
286K36.6Very low31.1Very low171 Ų171159.3 Ų159.374%0.74380%0.799SS**  trans-147.8105161.8-73.9-164.8-179.7178.20114.4
287R30.8Very low31Very low222 Ų222159.9 Ų159.984%0.83880%0.798SS**  trans58.6105.7134.9-50.7-174.6-165.2175.32.2121.4
288L27.6Very low30.4Very low157 Ų157155.3 Ų155.382%0.82279%0.791SS**  30.5126.6106.6-164.976.3000120V290L288-V290 HydrophobicContact CD1-CG2 3.96Å; L288-V290 HydrophobicContact CG-CG2 4.34Å
289R25.5Very low30Very low249 Ų249156.1 Ų156.194%0.9479%0.793SS**  trans-146.3155.7143.1-156.3170.6-175.4126.51.4109.3
290V30.4Very low30.1Very low102 Ų102155.3 Ų155.362%0.61879%0.789SS**  trans-132164.6-162.4159.60000110.8L288L288-V290 HydrophobicContact CD1-CG2 3.96Å; L288-V290 HydrophobicContact CG-CG2 4.34Å
291D25.6Very low30.9Very low146 Ų146157.2 Ų157.278%0.78179%0.787SS**  trans69.8153.9174.8-88.333.4000116.2
292S26.9Very low30.9Very low81 Ų81155.7 Ų155.757%0.56679%0.794SS**  cis-171.4173-8.7-1020000107.8
293E28.4Very low30.4Very low181 Ų181152 Ų15285%0.84680%0.799SS**  cis-158.7-163.3-5.749.1-142.4105.700109.6
294D29.2Very low30.2Very low157 Ų157151.2 Ų151.284%0.8480%0.802SS**  trans-73.7150.4-179.7-83.1-74.3000115.6
295E29.5Very low30.7Very low198 Ų198146.1 Ų146.193%0.92580%0.8SS**  trans-158.3156.6134.5-129.2-172.6137.900113.6
296M29.2Very low30.4Very low156 Ų156145.1 Ų145.177%0.76880%0.799SS**  trans-139147.7-169.4177.117052.900110
297L30.2Very low30.1Very low141 Ų141142.7 Ų142.774%0.73880%0.804SS**  trans137.6150.6144.6-72.9174.3000117.4
298S23.9Very low30.4Very low110 Ų110142.9 Ų142.977%0.76981%0.806SS**  trans80.6149.9159.480.80000119.4
299F24.3Very low31.3Very low187 Ų187142.1 Ų142.182%0.8281%0.808SS**  cis-178.2155.2-41.3-110.1-68.2000105
300H33.2Very low31.5Very low177 Ų177137.6 Ų137.682%0.81980%0.802SS**  trans-73.5-173.7-175.2-63-78.4000113.7
301P45.5Very low31.6Very low117 Ų117138.9 Ų138.976%0.7681%0.81SS**  cis-149.5-174.59.545.6-25000119.8
302A28.1Very low31.8Very low105 Ų105137.2 Ų137.287%0.86881%0.81SS**  trans75.9137.8143.100000122.2
303G27.3Very low32.5Very low85 Ų85138.3 Ų138.388%0.87682%0.815SS**  trans163.162.4170.600000116.5
304A35.8Very low32.9Very low97 Ų97137.5 Ų137.580%0.80282%0.816SS**  trans-103144161.300000109
305P41.6Very low33.2Very low133 Ų133138.9 Ų138.986%0.86482%0.818SS**  -140175.588.436-19.9000111.6
306G29.1Very low33.4Very low76 Ų76134.2 Ų134.278%0.78481%0.805SS**  cis155.8135.10.900000107.5
307S30.7Very low34.2Very low120 Ų120132.7 Ų132.784%0.83981%0.806SS**  trans-142.9111.6177.5-169.80000110.8
308Y36.2Very low34.6Very low225 Ų225135.5 Ų135.588%0.88281%0.813SS**  trans-86.7131171.1-101.4-108.5000109.3
309V47.8Very low35.2Very low142 Ų142136 Ų13686%0.86182%0.815SS**  trans-131.6143.8144.2-73.20000109.6
310N28.8Very low36.5Very low154 Ų154134.5 Ų134.582%0.82482%0.815SS**  trans-89.4152-159.7-162.26.4000112.4
311V31.8Very low37.1Very low128 Ų128131.7 Ų131.778%0.77681%0.813SS**  trans-80.9130172.4178.30000108.9
312S30Very low36.9Very low112 Ų112135.6 Ų135.678%0.78382%0.818SS**  trans-105.6129.2168.7-168.70000109.7
313P41.1Very low37.7Very low103 Ų103141.3 Ų141.367%0.66982%0.818SS**  trans-91.5116.1-174.133.4-31.1000111.7
314N37.4Very low38.4Very low164 Ų164144.9 Ų144.988%0.87782%0.817SS**  trans178.396.1151-98.2-46.4000112.1
315Q34.9Very low39.4Very low186 Ų186147.3 Ų147.387%0.86982%0.815SS**  trans-172.6153.1142-107.1-172-6.900111.4
316P35.7Very low39.3Very low100 Ų100146.2 Ų146.265%0.64981%0.808SS**PPolyproline II helixtrans-84.9163-176.635.5-34.5000112.9
317P45.1Very low40.1Very low124 Ų124148.8 Ų148.881%0.80581%0.81SS**PPolyproline II helixtrans-77.1132.8-170.730.6-35.2000113.3
318F37.5Very low40.6Very low200 Ų200148.7 Ų148.788%0.87781%0.81SS**PPolyproline II helixtrans-86.6132.2165.9-91.6-89000110.9
319C36.6Very low41Very low121 Ų121144.3 Ų144.382%0.81881%0.807SS**PPolyproline II helixtrans-76.8139.5-176.4-59.20000112.4
320L52.8Low41.1Very low156 Ų156142.4 Ų142.482%0.81781%0.806SS**PPolyproline II helixtrans-82.9138.6168.3-70.7165.6000110.1
321P45.1Very low41.9Very low118 Ų118140.1 Ų140.177%0.76681%0.808SS**PPolyproline II helixtrans-70.7135176.829.1-33.5000111
322F41.8Very low42.2Very low198 Ų198138.5 Ų138.587%0.86881%0.809SS**PPolyproline II helixtrans-68.1131.9-175.9-65.4-94.2000112.2L324F322-L324 PolarHBondContact O-N 3.29Å
323Y45.5Very low42.8Very low225 Ų225138.8 Ų138.888%0.88282%0.817SS**  trans-66.9110.2159.3-79.6-90.2000108.9I325Y323-I325 PolarHBondContact O-N 2.91Å
324L41.5Very low43.1Very low161 Ų161138.3 Ų138.384%0.84382%0.822SS**  trans-81.2102.8173.6-155.379.8000109.4F322 P326F322-L324 PolarHBondContact O-N 3.29Å; L324-P326 WeakPolarHBondContact O-CD 3.38Å
325I57Low43.6Very low147 Ų147140.4 Ų140.475%0.75482%0.819SS**  trans-77.8119.2170.1-61.8168.3000107.7Y323 P327Y323-I325 PolarHBondContact O-N 2.91Å; I325-P327 WeakPolarHBondContact O-CD 3.38Å
326P38.4Very low44.3Very low111 Ų111138.9 Ų138.972%0.72182%0.816SS**  trans-73.2126.3174.9-13.829.7000110.3L324 S328L324-P326 WeakPolarHBondContact O-CD 3.38Å; P326-S328 PolarHBondContact O-N 3.48Å
327P46.4Very low44.8Very low129 Ų129139.3 Ų139.384%0.83882%0.819SS**  trans-89.5102174.933.4-29.7000110.4I325I325-P327 WeakPolarHBondContact O-CD 3.38Å
328S40.9Very low44.7Very low118 Ų118142 Ų14283%0.82582%0.823SS**  trans-156.5142.8143.9-156.80000112P326P326-S328 PolarHBondContact O-N 3.48Å
329T44.9Very low45.4Very low134 Ų134140.1 Ų140.182%0.82282%0.821SS**  trans-89.7160.1-171.839.20000113
330A49.8Very low45.8Very low101 Ų101143.4 Ų143.484%0.83583%0.825SS**SBendtrans73.759.8158.200000119.7
331A45.1Very low45.6Very low106 Ų106145.3 Ų145.388%0.87683%0.826SS**SBendtrans-15732.7156.200000116.5
332A39.5Very low45.8Very low95 Ų95145.5 Ų145.579%0.78583%0.829SS**  trans-149.124.6-176.600000117A334A332-A334 PolarHBondContact O-N 3.17Å
333A42.2Very low45.5Very low117 Ų117147 Ų14797%0.96783%0.829SS**THydrogen-bonded Turntrans-83.342-177.500000114.2
334A47.6Very low45.2Very low93 Ų93145.6 Ų145.677%0.76982%0.823SS**THydrogen-bonded Turntrans-132.6-2.1-171.700000116.1A332A332-A334 PolarHBondContact O-N 3.17Å
335Y48Very low45.3Very low208 Ų208144.2 Ų144.282%0.81682%0.824SS**SBendtrans-148.957.8-174.9-148.2-93000115.7
336L48.8Very low44.3Very low155 Ų155140.5 Ų140.581%0.81282%0.822SS**  trans-149.683.5158.5-78.9-172.9000112.6
337P46.5Very low44.3Very low109 Ų109139.1 Ų139.171%0.70883%0.828SS**  trans-82.1151.1155.233.4-29.8000110.8
338M43.3Very low43.9Very low180 Ų180141.3 Ų141.389%0.88783%0.829SS**SBendtrans74.841.5168.7-64.8-178.946.200120.4
339L51.9Low44Very low160 Ų160141.1 Ų141.184%0.83883%0.825SS**  trans-122.833.7159.9-73.3176.9000113.9
340E46Very low44.2Very low191 Ų191141.8 Ų141.889%0.89382%0.822SS**SBendtrans-104.23.5-176.8-148.2177-148.500114.3
341K47.8Very low43.8Very low196 Ų196144.8 Ų144.885%0.85282%0.821SS**SBendtrans-132.6109.7173.7-85.4177.6175172.10110.3
342C49.3Very low43.9Very low121 Ų121150.3 Ų150.382%0.81882%0.82SS**  trans150.348.1147.2-80.30000114.3
343W36.3Very low44Very low231 Ų231151.5 Ų151.588%0.87582%0.82SS**SBendtrans-133.5115.8162.2-78.981.6000112
344Y38.5Very low43.5Very low194 Ų194149.4 Ų149.476%0.76181%0.81SS**  trans64.6118.2164.9-79.7-94.1000122.2
345P44.3Very low43.2Very low132 Ų132152.9 Ų152.986%0.85782%0.815SS**  trans-93.6115.2149.933.7-24.2000110.4
346G34.7Very low42.6Very low69 Ų69147.9 Ų147.971%0.71182%0.817SS**  trans169.999.8175.900000112.9
347G38.5Very low42Very low82 Ų82144 Ų14485%0.84581%0.814SS**PPolyproline II helixtrans-75133.1178.800000112.5
348M38Very low42.2Very low176 Ų176144.6 Ų144.687%0.86782%0.818SS**PPolyproline II helixtrans-100.7128.1169.3-72.2-70.3-165.900109.7I350M348-I350 PolarHBondContact O-N 2.78Å
349P44.1Very low41.8Very low113 Ų113144 Ų14473%0.73482%0.815SS**PPolyproline II helixtrans-79118175.830.5-31.8000110.8M351P349-M351 PolarHBondContact O-N 2.91Å
350I48.5Very low41.4Very low148 Ų148141.9 Ų141.976%0.75981%0.811SS**  trans-82.2107.4170.8-62.4176.5000108.5M348 Y352M348-I350 PolarHBondContact O-N 2.78Å; I350-Y352 HydrophobicContact CG2-CD2 3.97Å
351M40.3Very low40.6Very low164 Ų164136.8 Ų136.881%0.80881%0.81SS**  trans-101.3115.3171.5-66.3-71.5-76.700109.4P349P349-M351 PolarHBondContact O-N 2.91Å
352Y48Very low39.9Very low222 Ų222135.7 Ų135.787%0.87181%0.812SS**  trans-118.6113172.3-111.4-80.4000110.1I350I350-Y352 HydrophobicContact CG2-CD2 3.97Å
353P41.2Very low39.9Very low120 Ų120135.4 Ų135.478%0.77981%0.809SS**  trans-97.6133.2178-8.728.4000115.4
354G32.2Very low39.6Very low73 Ų73130.2 Ų130.275%0.75381%0.808SS**  trans84.1140.116000000116.9
355L41.3Very low39.3Very low167 Ų167127.4 Ų127.487%0.87480%0.802SS**  cis-127.5144.83.3-79.367.4000108.6
356A35.2Very low39.3Very low103 Ų103127 Ų12785%0.85180%0.799SS**  50.3129.474.500000114.9
357G36.5Very low39.5Very low73 Ų73129.4 Ų129.475%0.75380%0.795SS**  cis-165.7-161.112.200000113.1
358P49.3Very low39.9Very low122 Ų122131.2 Ų131.279%0.79279%0.792SS**  trans-134.2179.5-134.145.3-32000120.9
359M36.1Very low39.8Very low167 Ų167127 Ų12782%0.82378%0.78SS**  trans85.1172.4160.5-56.7-63.5-79.600119.1
360P43.2Very low39.4Very low116 Ų116126.2 Ų126.275%0.75378%0.776SS**  -137169.4-75.842.3-25.9000115.9
361G29.8Very low38.7Very low84 Ų84127.4 Ų127.487%0.86678%0.784SS**  trans152.8141.5161.400000119.3
362L33.1Very low38.5Very low172 Ų172126.1 Ų126.190%0.90178%0.779SS**  trans-96.8-176.4-179.9-81.6163000112.6
363P49.4Very low37.8Very low115 Ų115123.6 Ų123.675%0.74778%0.777SS**  cis-135.4176.6-26.632.8-13.4000114.8
364S28.6Very low37.6Very low123 Ų123122.2 Ų122.286%0.8677%0.771SS**  175141.9122.7-1690000113.9
365E33.4Very low38.3Very low135 Ų135124.9 Ų124.963%0.63178%0.775SS**  trans-82.5178.7172.2-119.2-149.892.700112.1L367E365-L367 WeakPolarHBondContact OE1-CD1 3.42Å; E365-L367 PolarHBondContact OE1-N 2.69Å; E365-L367 VanDerWaalsContact OE1-N 3.08Å
366P43.9Very low37.8Very low122 Ų122128.6 Ų128.679%0.79278%0.777SS**  cis-134.8166.727.533-9.5000121.7
367L38.1Very low37.7Very low120 Ų120128.5 Ų128.563%0.62878%0.776SS**  trans-56.7179.4171.1-84.8160.6000116E365E365-L367 WeakPolarHBondContact OE1-CD1 3.42Å; E365-L367 PolarHBondContact OE1-N 2.69Å; E365-L367 VanDerWaalsContact OE1-N 3.08Å
368P47.3Very low37.3Very low121 Ų121129 Ų12979%0.78678%0.782SS**  cis-127.3154.616.929.6-6.7000116.5
369S37.1Very low36.5Very low88 Ų88128.7 Ų128.762%0.61578%0.783SS**  87.5104.852.5-112.40000116.5
370S34.3Very low37.2Very low95 Ų95125.9 Ų125.966%0.66478%0.777SS**  trans41.8138.8136.465.60000122.2
371L33.3Very low36.6Very low174 Ų174126.9 Ų126.991%0.91178%0.78SS**  -170.4156.8101.6-98.7167.4000114.2
372L37.1Very low36.6Very low136 Ų136127.5 Ų127.571%0.71278%0.778SS**  trans-108.9143.4-176.4-164.1168.8000107.7
373M33.5Very low36.4Very low169 Ų169125 Ų12583%0.83377%0.774SS**  trans-167159.6148.1-105.2-39.7102.200116.2
374S37Very low36.3Very low92 Ų92124.9 Ų124.964%0.64377%0.773SS**  trans-80.3173.7177.6-168.10000112.8
375P45.8Very low36.4Very low129 Ų129124.6 Ų124.684%0.83877%0.766SS**  -149.3175.997.538.2-20.7000116.2
376R30.9Very low36.3Very low244 Ų244123 Ų12392%0.92178%0.776SS**  trans-137.4151.5171.6179.7176.8179.7147.62111.6
377A33.9Very low35.8Very low101 Ų101125.5 Ų125.584%0.83578%0.777SS**  trans106.6122.6156.500000117.4
378G27.9Very low35.4Very low84 Ų84130.1 Ų130.187%0.86679%0.786SS**  trans164120.917300000112.8
379S33Very low34.7Very low116 Ų116131.4 Ų131.481%0.81179%0.785SS**  trans-151.8152.1173-164.60000105
380P50.5Low35.4Very low107 Ų107132.4 Ų132.470%0.69579%0.789SS**  cis-153.2-16937.745.9-24.4000117.9
381V30.7Very low35.5Very low137 Ų137135.2 Ų135.283%0.8379%0.794SS**  trans61.6111.9159.8179.40000118.9
382A29.5Very low35.5Very low98 Ų98133.7 Ų133.781%0.8179%0.786SS**  172.2136.6117.200000112.8
383S30.4Very low35.4Very low118 Ų118131.9 Ų131.983%0.82579%0.785SS**  trans-123.1167159.2-1340000106
384P46.6Very low36.2Very low113 Ų113129.5 Ų129.573%0.73478%0.782SS**  cis-145.6-156.728.241.6-19000115.3
385V30.3Very low36.3Very low118 Ų118131.1 Ų131.172%0.71579%0.788SS**  trans114.194.4159.9-173.30000114.4
386A30.9Very low36Very low100 Ų100132.7 Ų132.783%0.82679%0.789SS**  trans-119.5135.3155.700000108.3
387H33.5Very low36.5Very low175 Ų175129.9 Ų129.981%0.8179%0.786SS**  trans-90.1125.6-179.6-91.5-68.4000112.4
388R30.3Very low36.8Very low217 Ų217134.8 Ų134.882%0.81979%0.788SS**  trans5.2125157.3-68.7-175171-145.6-2.1119.1
389I32.7Very low37.1Very low149 Ų149135.3 Ų135.376%0.76478%0.784SS**  67.7125.271.2-66.3171.1000111
390P51.6Low37.2Very low109 Ų109137.7 Ų137.771%0.70879%0.787SS**  -151.5159.967.940.9-21.1000121.7
391M36Very low36.6Very low154 Ų154144 Ų14476%0.75980%0.797SS**  trans64.2146.2147.3-74-2-137.900119.8
392D33.2Very low36.8Very low142 Ų142145.9 Ų145.976%0.75980%0.797SS**  cis-143.2168.38.5-102.9-40.2000113
393S36Very low37Very low98 Ų98146.8 Ų146.869%0.68579%0.792SS**  trans-126.1159.4170.2-162.80000109.3
394P49.8Very low37.2Very low119 Ų119146.3 Ų146.377%0.77379%0.788SS**  -151.7155.795.337.3-19.2000117.3
395T38.8Very low37.3Very low125 Ų125146.3 Ų146.377%0.76779%0.788SS**  trans-63.1141.315941.50000113.5
396L39.2Very low37.8Very low163 Ų163148.9 Ų148.985%0.85380%0.797SS**  trans-146.181.4158-112.7175.8000113.3
397H41.8Very low38Very low185 Ų185151.4 Ų151.486%0.85680%0.797SS**  trans-100.9115157.3-83.9-85.1000108.9
398K39.6Very low38.6Very low204 Ų204151.3 Ų151.389%0.88780%0.801SS**  trans136.280.3161.1-81177.8171.5178.40113.9
399A35.4Very low39Very low95 Ų95149 Ų14979%0.78580%0.8SS**  trans-170118145.200000104.7
400L35Very low39.6Very low165 Ų165148.7 Ų148.786%0.86481%0.805SS**  -156.9122.776.5-15074.5000111.1
401R37.8Very low39.3Very low241 Ų241152.2 Ų152.291%0.90981%0.809SS**  trans-134.5146157.6-84-109.9-102.6-165.5-6.3105.4
402Q33.9Very low39.6Very low175 Ų175156.2 Ų156.282%0.81883%0.834SS**  trans76.8143.9-176.2-55.6-178.5-9.400113.7
403V34.5Very low39.9Very low118 Ų118156.9 Ų156.972%0.71584%0.838SS**  cis-160.1125.5-0.8118.10000108.8
404S33.3Very low40.2Very low107 Ų107160 Ų16075%0.74885%0.846SS**  87.1158.4115.3-61.50000118.3
405P49.3Very low39.6Very low113 Ų113162.3 Ų162.373%0.73485%0.85SS**  trans-104.7167.7-161.940.4-34.7000114.7
406L41Very low39.7Very low173 Ų173164.5 Ų164.591%0.90686%0.855SS**  trans-133.1126.8163-83.4169.7000111.2
407N35.9Very low39.7Very low152 Ų152164.6 Ų164.681%0.81386%0.855SS**  trans-77.5151160-80.7-102000108.4
408L45Very low39.5Very low173 Ų173163.2 Ų163.291%0.90685%0.854SS**  trans-144.2132.1149.7-111.5166.9000110.6
409E38.6Very low39.5Very low168 Ų168160.3 Ų160.379%0.78585%0.852SS**  trans-75.4133.7-175.3-176.8177.110800110.5
410T45.6Very low39.9Very low144 Ų144165.3 Ų165.388%0.88386%0.857SS**  trans-108.1114.4166.348.30000109.6
411K45Very low40.3Very low182 Ų182165.3 Ų165.379%0.79186%0.857SS**  trans-118.6111.2170.3173.6-176.6178.3176.50108.2
412D43.3Very low40.5Very low238 Ų238158.5 Ų158.5100%1.27385%0.852SS**  trans-153.80142.8-135.3-84.1000107.3

Retrieved 412 of 412 residues in 50.2 ms (Link to these results)