A0A087XXG4_POEFO Loading...

Alpha-1A adrenergic receptor

AlphaFold DB , UniProt , Accession A0A087XXG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 359 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
1M36.8Very low35.2Very low247 Ų247146.8 Ų146.8100%1.21783%0.827SS**  0108.30-90.7167171.800107.6
2V33.5Very low36.1Very low130 Ų130143.4 Ų143.479%0.78882%0.815SS**  trans-100.5146.8174.4166.90000106.6
3P39.5Very low36.4Very low114 Ų114141.8 Ų141.874%0.7480%0.803SS**  trans-124.7105.1137.722.7-5.5000108.6
4T34.4Very low36.6Very low124 Ų124144.1 Ų144.176%0.76181%0.812SS**  79.7114.896.750.10000113.2
5E38.6Very low36.7Very low167 Ų167145.8 Ų145.878%0.7881%0.807SS**  trans-50.2154.2174.4-64.6167.1107.300113.8
6N31.3Very low37.6Very low168 Ų168142.3 Ų142.390%0.89879%0.794SS**  trans-147.7100136.5-106.1-6.1000109.7
7T38.1Very low38.2Very low122 Ų122141 Ų14175%0.74879%0.794SS**  trans-100.2118.1166.9-24.30000107.3
8S32.6Very low38.6Very low108 Ų108140.5 Ų140.576%0.75579%0.789SS**  trans179.5149.9153.951.90000108.5
9V32.3Very low39.3Very low140 Ų140138.7 Ų138.785%0.84879%0.786SS**  cis-168.2151.9-9140.20000103.4
10F33.6Very low39.9Very low194 Ų194137.1 Ų137.185%0.85178%0.783SS**  trans-63.8155.3177.3-109.6-100.1000115.1
11S36.3Very low40Very low101 Ų101135.3 Ų135.371%0.70678%0.779SS**  trans88.1161.7150.7-58.40000119.1
12P46Very low40.3Very low106 Ų106128 Ų12869%0.68875%0.753SS**  cis-130.2-173.9-44.934.3-15.8000110.5
13D40.4Very low40.7Very low122 Ų122126.4 Ų126.465%0.65275%0.753SS**  trans83.761.7167.4-55.1-37.6000119.1F15D13-F15 HydrophobicContact CB-CD2 4.17Å; D13-F15 HydrophobicContact CB-CE2 4.39Å; D13-F15 PolarHBondContact O-N 3.35Å
14D38.7Very low40.8Very low174 Ų174128 Ų12893%0.9375%0.75SS**  trans-8988.3144.2-88.4-33.2000108.9C16D14-C16 PolarHBondContact O-N 3.01Å
15F39.3Very low41.3Very low170 Ų170125.8 Ų125.875%0.74674%0.74SS**  trans-53.3104.6164.6-95.2-104.6000109.4D13 P17D13-F15 HydrophobicContact CB-CD2 4.17Å; D13-F15 HydrophobicContact CB-CE2 4.39Å; D13-F15 PolarHBondContact O-N 3.35Å; F15-P17 WeakPolarHBondContact O-CD 3.33Å
16C50Low41.8Very low89 Ų89125.1 Ų125.160%0.60174%0.737SS**  trans-82.3105.5164.5-160.30000107.9D14 N18D14-C16 PolarHBondContact O-N 3.01Å; C16-N18 PolarHBondContact O-N 3.16Å
17P48.9Very low42.7Very low121 Ų121121.3 Ų121.379%0.78672%0.72SS**THydrogen-bonded Turntrans-79.59.2-169.8-7.927.1000113.1F15F15-P17 WeakPolarHBondContact O-CD 3.33Å
18N44.1Very low44Very low132 Ų132121.6 Ų121.671%0.70671%0.712SS**THydrogen-bonded Turntrans-137.332.6-171-14815.3000113.8C16 S20C16-N18 PolarHBondContact O-N 3.16Å; N18-S20 PolarHBondContact O-N 2.81Å
19C52.9Low46.1Very low107 Ų107121.3 Ų121.372%0.72371%0.706SS**  trans-83.838.9165.8-72.30000112
20S50.2Low48.5Very low105 Ų105117.8 Ų117.873%0.73469%0.691SS**  trans-125.143.4-179.7-47.70000112.1N18N18-S20 PolarHBondContact O-N 2.81Å
21S42.1Very low50.7Low101 Ų101115 Ų11571%0.70668%0.679SS**  trans-12266.8154.265.50000109A23S21-A23 PolarHBondContact O-N 3.41Å
22S44.5Very low52.8Low94 Ų94112.2 Ų112.266%0.65766%0.662SS**  trans-66.667.2148.758.40000108.4Q24S22-Q24 PolarHBondContact O-N 3.26Å
23A40.7Very low54.7Low95 Ų95111.7 Ų111.779%0.78566%0.656SS**  trans-72.868.2148.200000105.4S21 S25S21-A23 PolarHBondContact O-N 3.41Å; A23-S25 PolarHBondContact O-N 2.98Å
24Q41.7Very low56.9Low148 Ų148108.5 Ų108.569%0.69265%0.647SS**  trans-55.2131.9175.3-96.4171.6-22.600107.7S22 E26S22-Q24 PolarHBondContact O-N 3.26Å; Q24-E26 PolarHBondContact O-N 3.09Å
25S44.9Very low59.1Low77 Ų77103.5 Ų103.554%0.53862%0.62SS.*  trans-63.749.2177.1-149.60000112.3A23 V27 H28A23-S25 PolarHBondContact O-N 2.98Å; S25-V27 PolarHBondContact O-N 3Å; S25-H28 PolarHBondContact O-N 3.31Å; S25-H28 PolarHBondContact OG-CD2 2.85Å
26E48.8Very low61.3Low153 Ų15397 Ų9772%0.71560%0.597SS**Hα-helixtrans-65.1-21.6178.5-77.7-164.414600111.9Q24 H28Q24-E26 PolarHBondContact O-N 3.09Å; E26-H28 VanDerWaalsContact C-N 3.31Å; E26-H28 PolarHBondContact O-N 3.1Å
27V51.3Low63.1Low89 Ų8995.3 Ų95.354%0.53959%0.59SS.*Hα-helixtrans-78.7-10.3178.5-176.60000112.5S25 K31S25-V27 PolarHBondContact O-N 3Å; V27-K31 HydrophobicContact CG1-CD 3.88Å; V27-K31 HydrophobicContact CG1-CG 4.41Å; V27-K31 VanDerWaalsContact CG1-NZ 3.29Å; V27-K31 WeakPolarHBondContact O-CB 3.27Å; V27-K31 WeakPolarHBondContact O-CD 3.36Å; V27-K31 WeakPolarHBondContact O-CG 3.32Å
28H64.8Low65Low127 Ų12794.3 Ų94.359%0.58858%0.582SS**Hα-helixtrans-89.5-38.2-179.1-89.6-89.1000114.3S25 E26 A32S25-H28 PolarHBondContact O-N 3.31Å; S25-H28 PolarHBondContact OG-CD2 2.85Å; E26-H28 VanDerWaalsContact C-N 3.31Å; E26-H28 PolarHBondContact O-N 3.1Å; H28-A32 VanDerWaalsContact O-CB 3.32Å; H28-A32 WeakPolarHBondContact O-CB 3.47Å; H28-A32 PolarHBondContact O-N 3.2Å
29V77.8Confident67Low103 Ų10388.8 Ų88.862%0.62455%0.552SS**Hα-helixtrans-72.9-45.9-178.9-177.60000110.8K31 A32 V33V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 PolarHBondContact O-N 2.94Å; V29-A32 PolarHBondContact O-N 2.96Å; V29-V33 HydrophobicContact CG1-CG2 4.22Å; V29-V33 WeakPolarHBondContact O-CB 3.49Å; V29-V33 VanDerWaalsContact O-CG2 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.4Å; V29-V33 PolarHBondContact O-N 3.37Å
30A81.9Confident68.7Low66 Ų6687.5 Ų87.555%0.54554%0.54SS..Hα-helixtrans-61-39.9177.600000112A34A30-A34 WeakPolarHBondContact O-CB 3.17Å; A30-A34 PolarHBondContact O-N 2.99Å
31K80.4Confident70.6Confident135 Ų13587.2 Ų87.259%0.58753%0.534SS*.Hα-helixtrans-65.6-44.3174.3-77.3-179.3-178.11700112.4V27 V29 A34 L35V27-K31 HydrophobicContact CG1-CD 3.88Å; V27-K31 HydrophobicContact CG1-CG 4.41Å; V27-K31 VanDerWaalsContact CG1-NZ 3.29Å; V27-K31 WeakPolarHBondContact O-CB 3.27Å; V27-K31 WeakPolarHBondContact O-CD 3.36Å; V27-K31 WeakPolarHBondContact O-CG 3.32Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 PolarHBondContact O-N 2.94Å; K31-A34 PolarHBondContact O-N 3.04Å; K31-L35 VanDerWaalsContact O-CB 3.23Å; K31-L35 WeakPolarHBondContact O-CB 3.3Å; K31-L35 PolarHBondContact O-N 2.94Å
32A79.4Confident72.6Confident43 Ų4383.7 Ų83.736%0.35551%0.506SS..Hα-helixtrans-64.2-42.8178.200000111.8H28 V29 L35 A36H28-A32 VanDerWaalsContact O-CB 3.32Å; H28-A32 WeakPolarHBondContact O-CB 3.47Å; H28-A32 PolarHBondContact O-N 3.2Å; V29-A32 PolarHBondContact O-N 2.96Å; A32-L35 PolarHBondContact O-N 2.66Å; A32-A36 VanDerWaalsContact O-CB 3.26Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 2.85Å
33V85.4Confident74.8Confident94 Ų9480.6 Ų80.657%0.5748%0.482SS*.Hα-helixtrans-64.9-44.3175.7172.80000110.9V29 A36 A37V29-V33 HydrophobicContact CG1-CG2 4.22Å; V29-V33 WeakPolarHBondContact O-CB 3.49Å; V29-V33 VanDerWaalsContact O-CG2 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.4Å; V29-V33 PolarHBondContact O-N 3.37Å; V33-A36 PolarHBondContact O-N 3.43Å; V33-A37 WeakPolarHBondContact O-CB 3.33Å; V33-A37 PolarHBondContact O-N 3.41Å
34A86.9Confident77.1Confident55 Ų5580.8 Ų80.846%0.45547%0.469SS..Hα-helixtrans-62.7-44.6176.700000111.8A30 K31 A37 V38A30-A34 WeakPolarHBondContact O-CB 3.17Å; A30-A34 PolarHBondContact O-N 2.99Å; K31-A34 PolarHBondContact O-N 3.04Å; A34-A37 PolarHBondContact O-N 3.25Å; A34-V38 WeakPolarHBondContact O-CG2 3.33Å; A34-V38 PolarHBondContact O-N 3.44Å
35L84.9Confident79.4Confident70 Ų7078 Ų7837%0.36646%0.455SS..Hα-helixtrans-62.7-47.1176.7-178.9135000111.1K31 A32 A37 V38 L39 E93K31-L35 VanDerWaalsContact O-CB 3.23Å; K31-L35 WeakPolarHBondContact O-CB 3.3Å; K31-L35 PolarHBondContact O-N 2.94Å; A32-L35 PolarHBondContact O-N 2.66Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.29Å; L35-V38 PolarHBondContact O-N 3.28Å; L35-L39 HydrophobicContact CD2-CD1 3.56Å; L35-L39 HydrophobicContact CD2-CG 4.4Å; L35-L39 HydrophobicContact CG-CD1 4.16Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 VanDerWaalsContact O-CG 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.3Å; L35-E93 HydrophobicContact CD2-CG 3.89Å
36A85.8Confident81.5Confident33 Ų3374.3 Ų74.327%0.27343%0.429SS..Hα-helixtrans-59.3-42.8175.700000111.9A32 V33 L39 V40A32-A36 VanDerWaalsContact O-CB 3.26Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 2.85Å; V33-A36 PolarHBondContact O-N 3.43Å; A36-L39 PolarHBondContact O-N 3.15Å; A36-V40 VanDerWaalsContact O-CG2 3.29Å; A36-V40 WeakPolarHBondContact O-CG2 3.29Å; A36-V40 PolarHBondContact O-N 2.93Å
37A87.8Confident83.6Confident54 Ų5468.9 Ų68.945%0.44641%0.407SS..Hα-helixtrans-61.9-44.9176.700000112.1V33 A34 L35 V40 V41V33-A37 WeakPolarHBondContact O-CB 3.33Å; V33-A37 PolarHBondContact O-N 3.41Å; A34-A37 PolarHBondContact O-N 3.25Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.29Å; A37-V40 PolarHBondContact O-N 2.9Å; A37-V41 WeakPolarHBondContact O-CG2 3.28Å; A37-V41 PolarHBondContact O-N 3.36Å
38V88.4Confident85.5Confident100 Ų10069.6 Ų69.661%0.60641%0.407SS*.Hα-helixtrans-61.5-44.7176.3170.70000111A34 L35 V40 V41 F42A34-V38 WeakPolarHBondContact O-CG2 3.33Å; A34-V38 PolarHBondContact O-N 3.44Å; L35-V38 PolarHBondContact O-N 3.28Å; V38-V40 PolarHBondContact O-N 3.43Å; V38-V41 PolarHBondContact O-N 2.98Å; V38-F42 WeakPolarHBondContact O-CB 3.41Å; V38-F42 PolarHBondContact O-N 3.32Å
39L87.3Confident86.7Confident16 Ų1663.8 Ų63.88%0.08438%0.382CS..Hα-helixtrans-64.7-38.8178.4-68.5178.1000112.1L35 A36 F42 L43 A90 E93 W325L35-L39 HydrophobicContact CD2-CD1 3.56Å; L35-L39 HydrophobicContact CD2-CG 4.4Å; L35-L39 HydrophobicContact CG-CD1 4.16Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 VanDerWaalsContact O-CG 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.3Å; A36-L39 PolarHBondContact O-N 3.15Å; L39-F42 WeakPolarHBondContact O-CB 3.44Å; L39-F42 PolarHBondContact O-N 3.08Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 3.24Å; L39-A90 HydrophobicContact CB-CB 4.06Å; L39-A90 HydrophobicContact CD1-CB 3.9Å; L39-A90 HydrophobicContact CG-CB 4.47Å; L39-E93 HydrophobicContact CD1-CB 4.44Å; L39-W325 HydrophobicContact CD1-CH2 4.15Å; L39-W325 HydrophobicContact CD1-CZ2 4.22Å; L39-W325 HydrophobicContact CD2-CD2 4.29Å; L39-W325 HydrophobicContact CD2-CE3 3.79Å; L39-W325 HydrophobicContact CD2-CH2 3.55Å; L39-W325 HydrophobicContact CD2-CZ2 4.04Å; L39-W325 HydrophobicContact CD2-CZ3 3.41Å; L39-W325 VanDerWaalsContact CD2-CZ3 3.41Å; L39-W325 HydrophobicContact CG-CH2 4.46Å
40V88.8Confident87.4Confident79 Ų7958.9 Ų58.948%0.47935%0.352SS..Hα-helixtrans-63.8-44.5175.1168.90000111.4A36 A37 V38 F42 L43 L44A36-V40 VanDerWaalsContact O-CG2 3.29Å; A36-V40 WeakPolarHBondContact O-CG2 3.29Å; A36-V40 PolarHBondContact O-N 2.93Å; A37-V40 PolarHBondContact O-N 2.9Å; V38-V40 PolarHBondContact O-N 3.43Å; V40-F42 VanDerWaalsContact C-N 3.25Å; V40-F42 PolarHBondContact O-N 3.21Å; V40-L43 PolarHBondContact O-N 3.37Å; V40-L44 HydrophobicContact CG1-CD1 4.12Å; V40-L44 HydrophobicContact CG1-CG 4.42Å; V40-L44 WeakPolarHBondContact O-CG 3.45Å; V40-L44 PolarHBondContact O-N 3.06Å
41V88.4Confident87.9Confident100 Ų10058.8 Ų58.861%0.60634%0.341SS*.Hα-helixtrans-59.4-42.3175.2171.40000110.6A37 V38 L44 F45A37-V41 WeakPolarHBondContact O-CG2 3.28Å; A37-V41 PolarHBondContact O-N 3.36Å; V38-V41 PolarHBondContact O-N 2.98Å; V41-L44 PolarHBondContact O-N 3.29Å; V41-F45 WeakPolarHBondContact O-CB 3.37Å; V41-F45 PolarHBondContact O-N 2.97Å
42F85.4Confident88.3Confident26 Ų2654.6 Ų54.611%0.11433%0.325CS..Hα-helixtrans-61.2-45.8177.5-174.3-112.1000112.4V38 L39 V40 F45 G46 L86 Y328 L329 C332V38-F42 WeakPolarHBondContact O-CB 3.41Å; V38-F42 PolarHBondContact O-N 3.32Å; L39-F42 WeakPolarHBondContact O-CB 3.44Å; L39-F42 PolarHBondContact O-N 3.08Å; V40-F42 VanDerWaalsContact C-N 3.25Å; V40-F42 PolarHBondContact O-N 3.21Å; F42-F45 PolarHBondContact O-N 3.4Å; F42-G46 PolarHBondContact O-N 3.26Å; F42-L86 HydrophobicContact CD1-CD1 4.25Å; F42-L86 HydrophobicContact CE1-CD1 3.7Å; F42-Y328 WeakPolarHBondContact CZ-O 3.42Å; F42-L329 HydrophobicContact CD2-CD2 3.67Å; F42-L329 HydrophobicContact CE2-CB 4.39Å; F42-L329 HydrophobicContact CE2-CD2 3.14Å; F42-L329 HydrophobicContact CE2-CG 4.24Å; F42-L329 HydrophobicContact CZ-CB 4.48Å; F42-L329 HydrophobicContact CZ-CD2 3.68Å; F42-L329 HydrophobicContact CZ-CG 4.43Å; F42-C332 HydrophobicContact CD2-CB 4.2Å; F42-C332 HydrophobicContact CE2-CB 3.43Å; F42-C332 VanDerWaalsContact CE2-CB 3.43Å; F42-C332 WeakPolarHBondContact CE2-SG 3.38Å; F42-C332 HydrophobicContact CZ-CB 4.01Å; F42-C332 WeakPolarHBondContact CZ-SG 3.28Å
43L89.7Confident88.7Confident29 Ų2952.5 Ų52.515%0.15231%0.308CS..Hα-helixtrans-60.6-47.8175.4-70.8172.9000112.5L39 V40 F45 G46 V47 L86 P87 A90L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 3.24Å; V40-L43 PolarHBondContact O-N 3.37Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.96Å; L43-G46 PolarHBondContact O-N 3.4Å; L43-V47 WeakPolarHBondContact O-CB 3.35Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.45Å; L43-L86 HydrophobicContact CD2-CB 3.23Å; L43-L86 HydrophobicContact CD2-CD1 4.19Å; L43-L86 HydrophobicContact CD2-CG 4.35Å; L43-P87 HydrophobicContact CD1-CB 4.36Å; L43-P87 HydrophobicContact CD1-CG 4.45Å; L43-P87 HydrophobicContact CD2-CG 3.94Å; L43-A90 HydrophobicContact CD1-CB 4.22Å
44L90.1Very high88.9Confident100 Ų10049.8 Ų49.852%0.52429%0.29SS..Hα-helixtrans-60.5-43.3178.7-71174.7000110.9V40 V41 L48V40-L44 HydrophobicContact CG1-CD1 4.12Å; V40-L44 HydrophobicContact CG1-CG 4.42Å; V40-L44 WeakPolarHBondContact O-CG 3.45Å; V40-L44 PolarHBondContact O-N 3.06Å; V41-L44 PolarHBondContact O-N 3.29Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 VanDerWaalsContact O-CG 3.23Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.22Å
45F89.2Confident89Confident89 Ų8950.3 Ų50.339%0.3929%0.285SS..Hα-helixtrans-64.3-46178.3-165.9-85.6000111.9V41 F42 L43 G49 C332 P335 I336V41-F45 WeakPolarHBondContact O-CB 3.37Å; V41-F45 PolarHBondContact O-N 2.97Å; F42-F45 PolarHBondContact O-N 3.4Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.96Å; F45-G49 WeakPolarHBondContact O-CA 3.26Å; F45-G49 PolarHBondContact O-N 2.8Å; F45-C332 HydrophobicContact CD1-CB 3.91Å; F45-C332 WeakPolarHBondContact CE1-O 3.28Å; F45-P335 HydrophobicContact CE1-CB 4.45Å; F45-I336 HydrophobicContact CE1-CD1 3.73Å; F45-I336 HydrophobicContact CE1-CG1 3.59Å; F45-I336 HydrophobicContact CE2-CG1 4.48Å; F45-I336 HydrophobicContact CZ-CD1 3.66Å; F45-I336 HydrophobicContact CZ-CG1 3.34Å
46G89.3Confident88.8Confident0 Ų047.2 Ų47.20%027%0.269CS..Hα-helixtrans-61.1-48.517800000112.5F42 L43 N50 C332F42-G46 PolarHBondContact O-N 3.26Å; L43-G46 PolarHBondContact O-N 3.4Å; G46-N50 WeakPolarHBondContact O-CB 3.33Å; G46-N50 PolarHBondContact O-N 3.05Å; G46-N50 VanDerWaalsContact O-N 3.14Å; G46-N50 PolarHBondContact O-ND2 3.01Å; G46-C332 WeakPolarHBondContact CA-SG 3.47Å
47V92.5Very high88.7Confident39 Ų3946.4 Ų46.424%0.23626%0.26CS..Hα-helixtrans-68.4-54.6-179173.30000111.3L43 G49 N50 I51 L79L43-V47 WeakPolarHBondContact O-CB 3.35Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.45Å; V47-G49 PolarHBondContact O-N 3.46Å; V47-N50 PolarHBondContact O-N 3.45Å; V47-I51 HydrophobicContact CG1-CD1 3.68Å; V47-I51 WeakPolarHBondContact O-CB 3.39Å; V47-I51 WeakPolarHBondContact O-CD1 3.25Å; V47-I51 WeakPolarHBondContact O-CG1 3.27Å; V47-I51 PolarHBondContact O-N 3.45Å; V47-L79 HydrophobicContact CB-CD1 4.41Å; V47-L79 HydrophobicContact CG1-CD1 4.04Å
48L91.5Very high88.4Confident103 Ų10348.8 Ų48.854%0.53927%0.265SS..Hα-helixtrans-65.6-41.7-177.2-64.2175.2000111.5L44 I51 L52L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 VanDerWaalsContact O-CG 3.23Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.22Å; L48-I51 PolarHBondContact O-N 2.87Å; L48-L52 WeakPolarHBondContact O-CB 2.9Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.32Å; L48-L52 PolarHBondContact O-N 3.27Å
49G89.9Confident87.9Confident6 Ų648.2 Ų48.26%0.06226%0.258CS..Hα-helixtrans-60.2-49.217900000112F45 V47 L52 V53 P335F45-G49 WeakPolarHBondContact O-CA 3.26Å; F45-G49 PolarHBondContact O-N 2.8Å; V47-G49 PolarHBondContact O-N 3.46Å; G49-L52 WeakPolarHBondContact O-CB 3.32Å; G49-L52 PolarHBondContact O-N 2.71Å; G49-V53 WeakPolarHBondContact O-CG2 3.42Å; G49-V53 PolarHBondContact O-N 2.97Å; G49-P335 VanDerWaalsContact C-CG 3.45Å
50N92.6Very high87.1Confident0 Ų049.1 Ų49.10%026%0.262CS..Hα-helixtrans-70.3-34.5-179.8-73.8-61.4000112.6G46 V47 L52 V53 I54 A75 L79 S331G46-N50 WeakPolarHBondContact O-CB 3.33Å; G46-N50 PolarHBondContact O-N 3.05Å; G46-N50 VanDerWaalsContact O-N 3.14Å; G46-N50 PolarHBondContact O-ND2 3.01Å; V47-N50 PolarHBondContact O-N 3.45Å; N50-L52 VanDerWaalsContact C-N 3.35Å; N50-L52 PolarHBondContact O-N 3.5Å; N50-V53 PolarHBondContact O-N 3.21Å; N50-I54 WeakPolarHBondContact O-CG1 3.4Å; N50-I54 PolarHBondContact O-N 3.26Å; N50-A75 HydrophobicContact CB-CB 4.44Å; N50-L79 HydrophobicContact CB-CB 4.07Å; N50-S331 PolarHBondContact ND2-O 3.31Å; N50-S331 VanDerWaalsContact ND2-O 3.11Å
51I92.2Very high85.5Confident63 Ų6351.3 Ų51.332%0.32327%0.267SS..Hα-helixtrans-59.5-45.8170.3-71167.4000110.8V47 L48 V53 I54 L55 L79V47-I51 HydrophobicContact CG1-CD1 3.68Å; V47-I51 WeakPolarHBondContact O-CB 3.39Å; V47-I51 WeakPolarHBondContact O-CD1 3.25Å; V47-I51 WeakPolarHBondContact O-CG1 3.27Å; V47-I51 PolarHBondContact O-N 3.45Å; L48-I51 PolarHBondContact O-N 2.87Å; I51-V53 VanDerWaalsContact C-N 3.33Å; I51-V53 PolarHBondContact O-N 3.4Å; I51-I54 PolarHBondContact O-N 3.25Å; I51-L55 HydrophobicContact CG2-CD1 3.75Å; I51-L55 HydrophobicContact CG2-CG 4.16Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 3.36Å; I51-L79 HydrophobicContact CD1-CD1 4.33Å; I51-L79 HydrophobicContact CG1-CD1 3.91Å; I51-L79 HydrophobicContact CG1-CD2 4.03Å
52L88.7Confident83.8Confident47 Ų4755.4 Ų55.425%0.24628%0.279CS..Hα-helixtrans-61.5-40.5177.8-73171.9000111.9L48 G49 N50 L55 S56 F349 M352L48-L52 WeakPolarHBondContact O-CB 2.9Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.32Å; L48-L52 PolarHBondContact O-N 3.27Å; G49-L52 WeakPolarHBondContact O-CB 3.32Å; G49-L52 PolarHBondContact O-N 2.71Å; N50-L52 VanDerWaalsContact C-N 3.35Å; N50-L52 PolarHBondContact O-N 3.5Å; L52-L55 PolarHBondContact O-N 3.07Å; L52-S56 VanDerWaalsContact O-CB 3.27Å; L52-S56 WeakPolarHBondContact O-CB 3.49Å; L52-S56 PolarHBondContact O-N 3.48Å; L52-S56 PolarHBondContact O-OG 3.2Å; L52-F349 HydrophobicContact CB-CE1 3.92Å; L52-F349 HydrophobicContact CB-CE2 4.43Å; L52-F349 HydrophobicContact CB-CZ 3.78Å; L52-F349 HydrophobicContact CD1-CE1 4.21Å; L52-M352 HydrophobicContact CD2-CE 3.78Å
53V88.7Confident82.3Confident0 Ų059.7 Ų59.70%030%0.295CS..Hα-helixtrans-60.1-49.7174.6175.80000110.5G49 N50 I51 L55 S56 V57 I71 A75 P335 Y338 F349G49-V53 WeakPolarHBondContact O-CG2 3.42Å; G49-V53 PolarHBondContact O-N 2.97Å; N50-V53 PolarHBondContact O-N 3.21Å; I51-V53 VanDerWaalsContact C-N 3.33Å; I51-V53 PolarHBondContact O-N 3.4Å; V53-L55 PolarHBondContact O-N 2.93Å; V53-S56 PolarHBondContact O-N 3.36Å; V53-S56 PolarHBondContact O-OG 3.34Å; V53-V57 PolarHBondContact O-N 3.18Å; V53-I71 HydrophobicContact CG1-CG2 3.87Å; V53-A75 HydrophobicContact CB-CB 3.91Å; V53-A75 HydrophobicContact CG1-CB 3.66Å; V53-P335 HydrophobicContact CG2-CB 4.15Å; V53-P335 HydrophobicContact CG2-CG 4.31Å; V53-Y338 HydrophobicContact CG1-CD2 4.23Å; V53-Y338 HydrophobicContact CG1-CE2 4.34Å; V53-Y338 HydrophobicContact CG2-CD2 3.95Å; V53-Y338 HydrophobicContact CG2-CE2 4.45Å; V53-F349 HydrophobicContact CG2-CE2 4.34Å; V53-F349 HydrophobicContact CG2-CZ 3.82Å
54I89.6Confident81Confident36 Ų3663.3 Ų63.319%0.18531%0.307CS..Hα-helixtrans-59.5-50.5179.1-66.4166.5000110.7N50 I51 S56 V57 L58 A75 A76 L79N50-I54 WeakPolarHBondContact O-CG1 3.4Å; N50-I54 PolarHBondContact O-N 3.26Å; I51-I54 PolarHBondContact O-N 3.25Å; I54-S56 VanDerWaalsContact C-N 3.3Å; I54-S56 PolarHBondContact O-N 2.88Å; I54-V57 PolarHBondContact O-N 2.59Å; I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 HydrophobicContact CG2-CG 4.27Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 2.67Å; I54-A75 HydrophobicContact CD1-CB 4.36Å; I54-A75 HydrophobicContact CG1-CB 3.78Å; I54-A76 HydrophobicContact CD1-CB 4.42Å; I54-L79 HydrophobicContact CD1-CD2 3.83Å
55L87.4Confident80.2Confident66 Ų6660.7 Ų60.735%0.34630%0.297SS..Hα-helixtrans-60.5-38.9179.1-72.2177.6000112.2I51 L52 V53 V57 L58 L59 M352I51-L55 HydrophobicContact CG2-CD1 3.75Å; I51-L55 HydrophobicContact CG2-CG 4.16Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 3.36Å; L52-L55 PolarHBondContact O-N 3.07Å; V53-L55 PolarHBondContact O-N 2.93Å; L55-V57 VanDerWaalsContact C-N 3.26Å; L55-V57 PolarHBondContact O-N 3.3Å; L55-L58 PolarHBondContact O-N 3.43Å; L55-L59 HydrophobicContact CB-CD1 4.35Å; L55-L59 VanDerWaalsContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 VanDerWaalsContact O-CG 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.29Å; L55-L59 PolarHBondContact O-N 3.38Å; L55-M352 HydrophobicContact CB-CE 3.46Å; L55-M352 VanDerWaalsContact CB-CE 3.46Å; L55-M352 HydrophobicContact CB-SD 4.32Å; L55-M352 HydrophobicContact CD1-CE 3.79Å; L55-M352 HydrophobicContact CG-CE 4.29Å
56S82.3Confident79.8Confident5 Ų557.3 Ų57.34%0.03528%0.283CS..Hα-helixtrans-61.1-35.8178.775.10000112.4L52 V53 I54 H60 F345L52-S56 VanDerWaalsContact O-CB 3.27Å; L52-S56 WeakPolarHBondContact O-CB 3.49Å; L52-S56 PolarHBondContact O-N 3.48Å; L52-S56 PolarHBondContact O-OG 3.2Å; V53-S56 PolarHBondContact O-N 3.36Å; V53-S56 PolarHBondContact O-OG 3.34Å; I54-S56 VanDerWaalsContact C-N 3.3Å; I54-S56 PolarHBondContact O-N 2.88Å; S56-H60 WeakPolarHBondContact O-CB 3.45Å; S56-H60 PolarHBondContact O-N 3.41Å; S56-F345 WeakPolarHBondContact OG-CE1 3.36Å
57V82Confident79.4Confident16 Ų1657.8 Ų57.810%0.09729%0.286CS..Hα-helixtrans-76.2-38.8176.2176.50000111.6V53 I54 L55 H68 A72 F345V53-V57 PolarHBondContact O-N 3.18Å; I54-V57 PolarHBondContact O-N 2.59Å; L55-V57 VanDerWaalsContact C-N 3.26Å; L55-V57 PolarHBondContact O-N 3.3Å; V57-H68 HydrophobicContact CG1-CB 4.05Å; V57-H68 HydrophobicContact CG2-CB 4.43Å; V57-A72 HydrophobicContact CB-CB 4.31Å; V57-A72 HydrophobicContact CG1-CB 4.13Å; V57-A72 HydrophobicContact CG2-CB 4.35Å; V57-F345 HydrophobicContact CG2-CE1 4.15Å; V57-F345 HydrophobicContact CG2-CZ 4.27Å
58L82.8Confident79Confident105 Ų10557.7 Ų57.755%0.5528%0.283SS..Hα-helixtrans-70.1-41.6-178.9-67.9178000112.7I54 L55I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 HydrophobicContact CG2-CG 4.27Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 2.67Å; L55-L58 PolarHBondContact O-N 3.43Å
59L78.3Confident78.7Confident87 Ų8758.5 Ų58.546%0.45528%0.28SS..Hα-helixtrans-79.2-32.7-175.2-64.3173.8000112.8L55 H61 M352L55-L59 HydrophobicContact CB-CD1 4.35Å; L55-L59 VanDerWaalsContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 VanDerWaalsContact O-CG 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.29Å; L55-L59 PolarHBondContact O-N 3.38Å; L59-H61 PolarHBondContact O-N 3.27Å; L59-M352 HydrophobicContact CD1-CE 4.14Å; L59-M352 HydrophobicContact CD1-SD 4.35Å
60H70.7Confident78.7Confident36 Ų3658.8 Ų58.817%0.16728%0.279CS..  trans-92.583.2179.7-79.1-71.7000112.9S56 Q62S56-H60 WeakPolarHBondContact O-CB 3.45Å; S56-H60 PolarHBondContact O-N 3.41Å; H60-Q62 VanDerWaalsContact C-N 3.29Å; H60-Q62 PolarHBondContact O-N 3.35Å
61H54.4Low78.5Confident124 Ų12459.6 Ų59.657%0.57428%0.284SS*.G310 helixtrans-65.5-22.5-175.1-137.8-83.9000115.3L59 W63 R64L59-H61 PolarHBondContact O-N 3.27Å; H61-W63 PolarHBondContact O-N 2.86Å; H61-R64 PolarHBondContact CD2-NH2 3.02Å; H61-R64 VanDerWaalsContact CE1-CZ 3.45Å; H61-R64 PolarHBondContact CE1-NH1 2.88Å; H61-R64 PolarHBondContact NE2-NH1 3.21Å; H61-R64 PolarHBondContact NE2-NH2 3.32Å
62Q53.3Low78.4Confident187 Ų18757.7 Ų57.787%0.87428%0.277SS*.G310 helixtrans-76.2-1-175.9-63.1-162-15.500114.4H60H60-Q62 VanDerWaalsContact C-N 3.29Å; H60-Q62 PolarHBondContact O-N 3.35Å
63W53.1Low78.6Confident116 Ų11656.4 Ų56.444%0.43927%0.27SS..G310 helixtrans-12614.9-167.8-53.969.2000113.1H61 S65 H68 E344H61-W63 PolarHBondContact O-N 2.86Å; W63-S65 PolarHBondContact O-N 3.04Å; W63-H68 PolarHBondContact O-CE1 3.09Å; W63-H68 PolarHBondContact O-ND1 3.03Å; W63-E344 HydrophobicContact CE3-CB 4.04Å; W63-E344 HydrophobicContact CE3-CG 3.67Å; W63-E344 HydrophobicContact CH2-CB 4.23Å; W63-E344 HydrophobicContact CH2-CG 3.66Å; W63-E344 HydrophobicContact CZ3-CB 3.75Å; W63-E344 HydrophobicContact CZ3-CG 3.02Å
64R62.4Low78.8Confident105 Ų10556.4 Ų56.440%0.39627%0.27SS..  trans-71.264.9-175-68.5-177.9172.8177.84113.8H61 Y69H61-R64 PolarHBondContact CD2-NH2 3.02Å; H61-R64 VanDerWaalsContact CE1-CZ 3.45Å; H61-R64 PolarHBondContact CE1-NH1 2.88Å; H61-R64 PolarHBondContact NE2-NH1 3.21Å; H61-R64 PolarHBondContact NE2-NH2 3.32Å; R64-Y69 HydrophobicContact CB-CE2 4.21Å
65S73.4Confident79Confident45 Ų4554.7 Ų54.732%0.31526%0.262SS..  trans-75.7157161.977.10000110.1W63 T67 H68W63-S65 PolarHBondContact O-N 3.04Å; S65-T67 PolarHBondContact O-N 3.17Å; S65-T67 VanDerWaalsContact O-N 3.12Å; S65-H68 PolarHBondContact O-N 3.38Å; S65-H68 PolarHBondContact OG-ND1 2.91Å
66V80.2Confident79.3Confident17 Ų1753.5 Ų53.510%0.10326%0.261CS..Hα-helixtrans-53.9-33.5177-1780000111.8H68 Y69 F70 A144V66-H68 PolarHBondContact O-N 3.03Å; V66-Y69 WeakPolarHBondContact O-CB 3.47Å; V66-Y69 PolarHBondContact O-N 3.1Å; V66-Y69 VanDerWaalsContact O-N 3.16Å; V66-F70 HydrophobicContact CG1-CD2 4.17Å; V66-F70 HydrophobicContact CG1-CE1 4.43Å; V66-F70 HydrophobicContact CG1-CE2 3.49Å; V66-F70 VanDerWaalsContact CG1-CE2 3.49Å; V66-F70 HydrophobicContact CG1-CZ 3.64Å; V66-F70 PolarHBondContact O-N 3.29Å; V66-F70 VanDerWaalsContact O-N 3.16Å; V66-A144 HydrophobicContact CB-CB 4.4Å; V66-A144 HydrophobicContact CG2-CB 3.93Å; V66-A144 WeakPolarHBondContact CG2-O 3.28Å
67T82Confident79.9Confident11 Ų1153.3 Ų53.37%0.06726%0.26CS..Hα-helixtrans-59.7-40.3175.9-40.10000113.5S65 Y69 F70 I71 D129 R130 Y140S65-T67 PolarHBondContact O-N 3.17Å; S65-T67 VanDerWaalsContact O-N 3.12Å; T67-Y69 VanDerWaalsContact C-N 3.27Å; T67-Y69 PolarHBondContact O-N 2.73Å; T67-F70 PolarHBondContact O-N 3.23Å; T67-F70 VanDerWaalsContact O-N 3.17Å; T67-I71 HydrophobicContact CG2-CD1 4.23Å; T67-I71 WeakPolarHBondContact O-CG1 3.47Å; T67-I71 PolarHBondContact O-N 2.78Å; T67-D129 PolarHBondContact OG1-OD2 2.9Å; T67-R130 PolarHBondContact OG1-NH2 3.2Å; T67-Y140 PolarHBondContact OG1-OH 3.34Å
68H83.5Confident80.5Confident37 Ų3752.6 Ų52.617%0.17126%0.256CS..Hα-helixtrans-67.6-31.9179-65.889.4000111.3V57 W63 S65 V66 I71 A72 F345V57-H68 HydrophobicContact CG1-CB 4.05Å; V57-H68 HydrophobicContact CG2-CB 4.43Å; W63-H68 PolarHBondContact O-CE1 3.09Å; W63-H68 PolarHBondContact O-ND1 3.03Å; S65-H68 PolarHBondContact O-N 3.38Å; S65-H68 PolarHBondContact OG-ND1 2.91Å; V66-H68 PolarHBondContact O-N 3.03Å; H68-I71 PolarHBondContact O-N 3.43Å; H68-A72 WeakPolarHBondContact O-CB 3.41Å; H68-A72 PolarHBondContact O-N 2.87Å; H68-F345 AromaticContact CD2-CZ 3.89Å
69Y86.1Confident81.1Confident119 Ų11949.5 Ų49.547%0.46724%0.239SC..Hα-helixtrans-65.1-40.8171-72.3-78000112.1R64 V66 T67 A72 N73R64-Y69 HydrophobicContact CB-CE2 4.21Å; V66-Y69 WeakPolarHBondContact O-CB 3.47Å; V66-Y69 PolarHBondContact O-N 3.1Å; V66-Y69 VanDerWaalsContact O-N 3.16Å; T67-Y69 VanDerWaalsContact C-N 3.27Å; T67-Y69 PolarHBondContact O-N 2.73Å; Y69-A72 PolarHBondContact O-N 3.29Å; Y69-N73 PolarHBondContact O-N 3.1Å
70F89.5Confident81.9Confident12 Ų1248.1 Ų48.15%0.05323%0.232CC..Hα-helixtrans-67.2-38.4175.6-62.8-41.5000112.7V66 T67 A72 N73 L74 V125 I126 D129 A152 V153V66-F70 HydrophobicContact CG1-CD2 4.17Å; V66-F70 HydrophobicContact CG1-CE1 4.43Å; V66-F70 HydrophobicContact CG1-CE2 3.49Å; V66-F70 VanDerWaalsContact CG1-CE2 3.49Å; V66-F70 HydrophobicContact CG1-CZ 3.64Å; V66-F70 PolarHBondContact O-N 3.29Å; V66-F70 VanDerWaalsContact O-N 3.16Å; T67-F70 PolarHBondContact O-N 3.23Å; T67-F70 VanDerWaalsContact O-N 3.17Å; F70-A72 VanDerWaalsContact C-N 3.35Å; F70-N73 PolarHBondContact O-N 3.26Å; F70-L74 PolarHBondContact O-N 2.84Å; F70-V125 HydrophobicContact CD1-CG1 3.81Å; F70-V125 HydrophobicContact CD2-CG1 3.98Å; F70-V125 HydrophobicContact CE1-CG1 3.51Å; F70-V125 HydrophobicContact CE2-CG1 3.66Å; F70-V125 HydrophobicContact CG-CG1 4.05Å; F70-V125 HydrophobicContact CZ-CG1 3.43Å; F70-V125 VanDerWaalsContact CZ-CG1 3.43Å; F70-I126 HydrophobicContact CB-CD1 4.29Å; F70-I126 HydrophobicContact CB-CG1 3.63Å; F70-D129 HydrophobicContact CD2-CB 4.14Å; F70-D129 HydrophobicContact CE2-CB 3.96Å; F70-A152 HydrophobicContact CE1-CB 4.37Å; F70-V153 HydrophobicContact CD1-CG2 4Å; F70-V153 HydrophobicContact CE1-CG2 4.05Å
71I88.7Confident83.1Confident18 Ų1846.5 Ų46.59%0.09223%0.225CC..Hα-helixtrans-64-41.9173.9-66.7167.7000110.6V53 T67 H68 L74 A75 Y338 F345V53-I71 HydrophobicContact CG1-CG2 3.87Å; T67-I71 HydrophobicContact CG2-CD1 4.23Å; T67-I71 WeakPolarHBondContact O-CG1 3.47Å; T67-I71 PolarHBondContact O-N 2.78Å; H68-I71 PolarHBondContact O-N 3.43Å; I71-L74 PolarHBondContact O-N 3.4Å; I71-A75 PolarHBondContact O-N 2.82Å; I71-Y338 HydrophobicContact CG2-CD2 4.27Å; I71-Y338 HydrophobicContact CG2-CE1 4.33Å; I71-Y338 HydrophobicContact CG2-CE2 3.93Å; I71-F345 HydrophobicContact CD1-CE2 3.93Å; I71-F345 HydrophobicContact CD1-CZ 4.05Å; I71-F345 HydrophobicContact CG2-CZ 3.95Å
72A89.6Confident84.9Confident22 Ų2240.6 Ų40.618%0.18220%0.198CC..Hα-helixtrans-64.6-38.8175.100000112.3V57 H68 Y69 F70 A75 A76V57-A72 HydrophobicContact CB-CB 4.31Å; V57-A72 HydrophobicContact CG1-CB 4.13Å; V57-A72 HydrophobicContact CG2-CB 4.35Å; H68-A72 WeakPolarHBondContact O-CB 3.41Å; H68-A72 PolarHBondContact O-N 2.87Å; Y69-A72 PolarHBondContact O-N 3.29Å; F70-A72 VanDerWaalsContact C-N 3.35Å; A72-A75 PolarHBondContact O-N 3.03Å; A72-A76 WeakPolarHBondContact O-CB 2.95Å; A72-A76 PolarHBondContact O-N 3.41Å
73N93.3Very high86.8Confident20 Ų2034.5 Ų34.511%0.10718%0.175CC..Hα-helixtrans-63.1-43.3174.2-176.674000112Y69 F70 A76 A77 S122 V153 W157Y69-N73 PolarHBondContact O-N 3.1Å; F70-N73 PolarHBondContact O-N 3.26Å; N73-A76 WeakPolarHBondContact O-CB 3.4Å; N73-A76 PolarHBondContact O-N 3.41Å; N73-A77 PolarHBondContact O-N 3.29Å; N73-S122 PolarHBondContact ND2-OG 3.19Å; N73-V153 HydrophobicContact CB-CG2 4.31Å; N73-V153 VanDerWaalsContact OD1-CG1 3.22Å; N73-V153 WeakPolarHBondContact OD1-CG1 3.34Å; N73-W157 PolarHBondContact OD1-NE1 3.29Å
74L92.6Very high88.7Confident0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-60.1-47175.2177.355.2000111.1F70 I71 A76 A77 D78 L123 I126 Y338F70-L74 PolarHBondContact O-N 2.84Å; I71-L74 PolarHBondContact O-N 3.4Å; L74-A76 VanDerWaalsContact C-N 3.27Å; L74-A76 PolarHBondContact O-N 3.32Å; L74-A77 PolarHBondContact O-N 3.46Å; L74-D78 PolarHBondContact O-N 3.29Å; L74-L123 HydrophobicContact CD2-CD2 3.61Å; L74-L123 HydrophobicContact CD2-CG 4.12Å; L74-I126 HydrophobicContact CB-CD1 4.47Å; L74-I126 HydrophobicContact CD2-CD1 3.88Å; L74-Y338 WeakPolarHBondContact CD2-OH 3.3Å
75A93.3Very high90.2Very high1 Ų125.2 Ų25.21%0.00815%0.146CC..Hα-helixtrans-62.6-32.2175.400000113N50 V53 I54 I71 A72 L79N50-A75 HydrophobicContact CB-CB 4.44Å; V53-A75 HydrophobicContact CB-CB 3.91Å; V53-A75 HydrophobicContact CG1-CB 3.66Å; I54-A75 HydrophobicContact CD1-CB 4.36Å; I54-A75 HydrophobicContact CG1-CB 3.78Å; I71-A75 PolarHBondContact O-N 2.82Å; A72-A75 PolarHBondContact O-N 3.03Å; A75-L79 WeakPolarHBondContact O-CB 3.43Å; A75-L79 PolarHBondContact O-N 2.91Å
76A94.4Very high91.1Very high41 Ų4123 Ų2334%0.33913%0.131SC..Hα-helixtrans-68.8-40.5174.400000112.3I54 A72 N73 L74 L79 L80I54-A76 HydrophobicContact CD1-CB 4.42Å; A72-A76 WeakPolarHBondContact O-CB 2.95Å; A72-A76 PolarHBondContact O-N 3.41Å; N73-A76 WeakPolarHBondContact O-CB 3.4Å; N73-A76 PolarHBondContact O-N 3.41Å; L74-A76 VanDerWaalsContact C-N 3.27Å; L74-A76 PolarHBondContact O-N 3.32Å; A76-L79 PolarHBondContact O-N 2.87Å; A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 PolarHBondContact O-N 3.08Å
77A95.4Very high91.7Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-65-44.917400000111.6N73 L74 L79 L80 L81 A118 S119 W157N73-A77 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 3.46Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L79 PolarHBondContact O-N 3.45Å; A77-L80 PolarHBondContact O-N 3.2Å; A77-L81 PolarHBondContact O-N 3.48Å; A77-A118 HydrophobicContact CB-CB 4.12Å; A77-S119 WeakPolarHBondContact CB-OG 3.35Å; A77-W157 HydrophobicContact CB-CH2 4.2Å; A77-W157 HydrophobicContact CB-CZ2 4.19Å
78D94.7Very high92.2Very high2 Ų226.1 Ų26.11%0.01115%0.146CC..Hα-helixtrans-65.3-35.5176.3-74.2-35.4000112.3L74 S82 S331 N334L74-D78 PolarHBondContact O-N 3.29Å; D78-S82 VanDerWaalsContact O-CB 3.24Å; D78-S82 WeakPolarHBondContact O-CB 3.2Å; D78-S82 PolarHBondContact O-N 3.16Å; D78-S82 PolarHBondContact O-OG 3.03Å; D78-S331 WeakPolarHBondContact OD1-CB 3.31Å; D78-N334 PolarHBondContact OD2-ND2 2.91Å
79L94.8Very high92.6Very high39 Ų3924.8 Ų24.820%0.20414%0.141CC..Hα-helixtrans-67.1-40.9174.3179.661.2000111.3V47 N50 I51 I54 A75 A76 A77 S82 S83V47-L79 HydrophobicContact CB-CD1 4.41Å; V47-L79 HydrophobicContact CG1-CD1 4.04Å; N50-L79 HydrophobicContact CB-CB 4.07Å; I51-L79 HydrophobicContact CD1-CD1 4.33Å; I51-L79 HydrophobicContact CG1-CD1 3.91Å; I51-L79 HydrophobicContact CG1-CD2 4.03Å; I54-L79 HydrophobicContact CD1-CD2 3.83Å; A75-L79 WeakPolarHBondContact O-CB 3.43Å; A75-L79 PolarHBondContact O-N 2.91Å; A76-L79 PolarHBondContact O-N 2.87Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L79 PolarHBondContact O-N 3.45Å; L79-S82 PolarHBondContact O-N 3.44Å; L79-S83 VanDerWaalsContact O-CB 3.31Å; L79-S83 WeakPolarHBondContact O-CB 3.42Å; L79-S83 PolarHBondContact O-N 3.13Å; L79-S83 PolarHBondContact O-OG 3.18Å
80L95.2Very high92.8Very high58 Ų5819.6 Ų19.630%0.30412%0.122SC..Hα-helixtrans-62.8-45.9175.9-175.360.4000110.6A76 A77 S82 S83 A84 L111 C115 W157A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 PolarHBondContact O-N 3.08Å; A77-L80 PolarHBondContact O-N 3.2Å; L80-S82 PolarHBondContact O-N 2.94Å; L80-S83 PolarHBondContact O-N 2.86Å; L80-A84 HydrophobicContact CD1-CB 4.11Å; L80-A84 VanDerWaalsContact O-CB 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.23Å; L80-A84 PolarHBondContact O-N 3.04Å; L80-L111 HydrophobicContact CD2-CD1 3.99Å; L80-L111 HydrophobicContact CG-CD1 4.17Å; L80-C115 VanDerWaalsContact CD2-SG 3.59Å; L80-C115 VanDerWaalsContact CG-SG 3.55Å; L80-W157 HydrophobicContact CD2-CH2 4.17Å; L80-W157 HydrophobicContact CD2-CZ3 4.39Å
81L94.4Very high92.8Very high3 Ų321.8 Ų21.82%0.01614%0.136CC..Hα-helixtrans-57-50.3172.2-174.471000111.2A77 S83 V85 L86 C115 Y328A77-L81 PolarHBondContact O-N 3.48Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.47Å; L81-V85 HydrophobicContact CD1-CB 3.83Å; L81-V85 HydrophobicContact CD1-CG1 3.96Å; L81-V85 HydrophobicContact CD1-CG2 4Å; L81-V85 WeakPolarHBondContact O-CA 3.34Å; L81-V85 WeakPolarHBondContact O-CB 3.46Å; L81-V85 PolarHBondContact O-N 3.27Å; L81-L86 HydrophobicContact CG-CD2 4.49Å; L81-L86 HydrophobicContact CG-CG 4.42Å; L81-L86 PolarHBondContact O-N 3.42Å; L81-C115 HydrophobicContact CB-CB 3.89Å; L81-C115 HydrophobicContact CD1-CB 3.98Å; L81-Y328 HydrophobicContact CD1-CD1 4.46Å; L81-Y328 HydrophobicContact CD1-CE1 3.99Å; L81-Y328 HydrophobicContact CD2-CD1 4.16Å; L81-Y328 HydrophobicContact CD2-CE1 4.48Å
82S93.4Very high92.9Very high0 Ų022.1 Ų22.10%014%0.141CC..Hα-helixtrans-67.5-28.2-174.1-58.60000114.2D78 L79 L80 P87D78-S82 VanDerWaalsContact O-CB 3.24Å; D78-S82 WeakPolarHBondContact O-CB 3.2Å; D78-S82 PolarHBondContact O-N 3.16Å; D78-S82 PolarHBondContact O-OG 3.03Å; L79-S82 PolarHBondContact O-N 3.44Å; L80-S82 PolarHBondContact O-N 2.94Å; S82-P87 WeakPolarHBondContact O-CD 3.5Å
83S92.8Very high92.8Very high58 Ų5823.9 Ų23.941%0.40615%0.145SC..Hα-helixtrans-99.8-32.3-176.658.70000113.6L79 L80 L81 P87L79-S83 VanDerWaalsContact O-CB 3.31Å; L79-S83 WeakPolarHBondContact O-CB 3.42Å; L79-S83 PolarHBondContact O-N 3.13Å; L79-S83 PolarHBondContact O-OG 3.18Å; L80-S83 PolarHBondContact O-N 2.86Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.47Å; S83-P87 WeakPolarHBondContact O-CG 3.21Å
84A92.9Very high92.5Very high26 Ų2625 Ų2522%0.21516%0.157CC..Hα-helixtrans-110.7-15.5-172.300000114.3L80 F88 L111L80-A84 HydrophobicContact CD1-CB 4.11Å; L80-A84 VanDerWaalsContact O-CB 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.23Å; L80-A84 PolarHBondContact O-N 3.04Å; A84-F88 WeakPolarHBondContact O-CD2 3.45Å; A84-F88 WeakPolarHBondContact O-CE2 3.49Å; A84-L111 HydrophobicContact CB-CD2 3.53Å
85V93.9Very high92.2Very high0 Ų029.3 Ų29.30%018%0.179CC..THydrogen-bonded Turntrans-112.9-56.7179.8-178.80000110.3L81 F88 S89 W108 L111 D112 Y328L81-V85 HydrophobicContact CD1-CB 3.83Å; L81-V85 HydrophobicContact CD1-CG1 3.96Å; L81-V85 HydrophobicContact CD1-CG2 4Å; L81-V85 WeakPolarHBondContact O-CA 3.34Å; L81-V85 WeakPolarHBondContact O-CB 3.46Å; L81-V85 PolarHBondContact O-N 3.27Å; V85-F88 PolarHBondContact O-N 3.49Å; V85-S89 PolarHBondContact O-N 3.48Å; V85-S89 VanDerWaalsContact O-N 3.09Å; V85-S89 PolarHBondContact O-OG 2.87Å; V85-W108 PolarHBondContact O-NE1 2.94Å; V85-L111 HydrophobicContact CG2-CB 4.19Å; V85-L111 HydrophobicContact CG2-CD2 3.98Å; V85-L111 HydrophobicContact CG2-CG 3.75Å; V85-D112 HydrophobicContact CG1-CB 3.89Å; V85-D112 WeakPolarHBondContact CG1-OD1 3.44Å; V85-Y328 VanDerWaalsContact CG1-OH 3.32Å; V85-Y328 WeakPolarHBondContact CG1-OH 3.45Å
86L92Very high91.8Very high0 Ų032.6 Ų32.60%021%0.213CC..Hα-helixtrans-58.6-40-172.7-61.8-171.7000114.9F42 L43 L81 F88 S89 A90 Y328F42-L86 HydrophobicContact CD1-CD1 4.25Å; F42-L86 HydrophobicContact CE1-CD1 3.7Å; L43-L86 HydrophobicContact CD2-CB 3.23Å; L43-L86 HydrophobicContact CD2-CD1 4.19Å; L43-L86 HydrophobicContact CD2-CG 4.35Å; L81-L86 HydrophobicContact CG-CD2 4.49Å; L81-L86 HydrophobicContact CG-CG 4.42Å; L81-L86 PolarHBondContact O-N 3.42Å; L86-F88 VanDerWaalsContact C-N 3.28Å; L86-F88 PolarHBondContact O-N 3.44Å; L86-S89 PolarHBondContact O-N 3.29Å; L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.32Å; L86-A90 PolarHBondContact O-N 3.01Å; L86-Y328 HydrophobicContact CD2-CD1 3.7Å; L86-Y328 HydrophobicContact CD2-CD2 3.16Å; L86-Y328 HydrophobicContact CD2-CE1 3.97Å; L86-Y328 HydrophobicContact CD2-CE2 3.45Å; L86-Y328 VanDerWaalsContact CD2-CE2 3.45Å; L86-Y328 HydrophobicContact CD2-CG 3.26Å
87P92.5Very high91.5Very high37 Ų3736.8 Ų36.824%0.2422%0.22CC..Hα-helixtrans-64.5-35.3-178.6-24.536.7000112.5L43 S82 S83 T91L43-P87 HydrophobicContact CD1-CB 4.36Å; L43-P87 HydrophobicContact CD1-CG 4.45Å; L43-P87 HydrophobicContact CD2-CG 3.94Å; S82-P87 WeakPolarHBondContact O-CD 3.5Å; S83-P87 WeakPolarHBondContact O-CG 3.21Å; P87-T91 WeakPolarHBondContact O-CB 3.42Å; P87-T91 PolarHBondContact O-N 3.09Å; P87-T91 PolarHBondContact O-OG1 2.8Å
88F92.9Very high91.3Very high56 Ų5637.2 Ų37.225%0.24622%0.222CC..Hα-helixtrans-75-41.5178.9-59.7-81.1000111A84 V85 L86 A90 T91 S92 W98 F100 F104A84-F88 WeakPolarHBondContact O-CD2 3.45Å; A84-F88 WeakPolarHBondContact O-CE2 3.49Å; V85-F88 PolarHBondContact O-N 3.49Å; L86-F88 VanDerWaalsContact C-N 3.28Å; L86-F88 PolarHBondContact O-N 3.44Å; F88-A90 VanDerWaalsContact C-N 3.33Å; F88-A90 PolarHBondContact O-N 3.01Å; F88-T91 PolarHBondContact O-N 2.81Å; F88-S92 WeakPolarHBondContact O-CB 3.43Å; F88-S92 PolarHBondContact O-N 3.4Å; F88-W98 HydrophobicContact CB-CH2 4.27Å; F88-W98 HydrophobicContact CB-CZ3 4.42Å; F88-F100 HydrophobicContact CB-CE2 4.17Å; F88-F100 HydrophobicContact CD1-CD1 4.02Å; F88-F100 HydrophobicContact CD1-CD2 4.09Å; F88-F100 AromaticContact CD1-CE1 3.73Å; F88-F100 HydrophobicContact CD1-CE1 3.73Å; F88-F100 AromaticContact CD1-CE2 3.81Å; F88-F100 HydrophobicContact CD1-CE2 3.81Å; F88-F100 HydrophobicContact CD1-CG 4.2Å; F88-F100 AromaticContact CD1-CZ 3.61Å; F88-F100 HydrophobicContact CD1-CZ 3.61Å; F88-F100 HydrophobicContact CE1-CD1 4.26Å; F88-F100 HydrophobicContact CE1-CE1 4.01Å; F88-F100 HydrophobicContact CE1-CZ 4.31Å; F88-F100 HydrophobicContact CG-CE2 4.5Å; F88-F104 HydrophobicContact CB-CE1 4.14Å; F88-F104 HydrophobicContact CD1-CD1 4.43Å; F88-F104 AromaticContact CD1-CE1 3.38Å; F88-F104 HydrophobicContact CD1-CE1 3.38Å; F88-F104 AromaticContact CD1-CZ 3.76Å; F88-F104 HydrophobicContact CD1-CZ 3.76Å; F88-F104 HydrophobicContact CD2-CE1 4.04Å; F88-F104 AromaticContact CD2-CZ 3.95Å; F88-F104 HydrophobicContact CD2-CZ 3.95Å; F88-F104 AromaticContact CE1-CE1 3.67Å; F88-F104 HydrophobicContact CE1-CE1 3.67Å; F88-F104 AromaticContact CE1-CZ 3.59Å; F88-F104 HydrophobicContact CE1-CZ 3.59Å; F88-F104 HydrophobicContact CE2-CE1 4.29Å; F88-F104 AromaticContact CE2-CZ 3.78Å; F88-F104 HydrophobicContact CE2-CZ 3.78Å; F88-F104 AromaticContact CG-CE1 3.58Å; F88-F104 HydrophobicContact CG-CE1 3.58Å; F88-F104 AromaticContact CG-CZ 3.94Å; F88-F104 HydrophobicContact CG-CZ 3.94Å; F88-F104 HydrophobicContact CZ-CE1 4.12Å; F88-F104 AromaticContact CZ-CZ 3.59Å; F88-F104 HydrophobicContact CZ-CZ 3.59Å
89S91.8Very high91.2Very high9 Ų940 Ų406%0.06324%0.239CC..Hα-helixtrans-59.9-43.5171.4-54.70000111.8V85 L86 S92 E93 W108V85-S89 PolarHBondContact O-N 3.48Å; V85-S89 VanDerWaalsContact O-N 3.09Å; V85-S89 PolarHBondContact O-OG 2.87Å; L86-S89 PolarHBondContact O-N 3.29Å; S89-S92 PolarHBondContact O-N 3Å; S89-E93 WeakPolarHBondContact O-CB 3.33Å; S89-E93 PolarHBondContact O-N 3.12Å; S89-W108 VanDerWaalsContact OG-CZ2 3.27Å; S89-W108 WeakPolarHBondContact OG-CZ2 3.46Å; S89-W108 PolarHBondContact OG-NE1 3.26Å
90A90.8Very high91Very high10 Ų1041.4 Ų41.48%0.08324%0.244CC..Hα-helixtrans-65.5-41.5178.400000112.2L39 L43 L86 F88 E93 A94 W325L39-A90 HydrophobicContact CB-CB 4.06Å; L39-A90 HydrophobicContact CD1-CB 3.9Å; L39-A90 HydrophobicContact CG-CB 4.47Å; L43-A90 HydrophobicContact CD1-CB 4.22Å; L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.32Å; L86-A90 PolarHBondContact O-N 3.01Å; F88-A90 VanDerWaalsContact C-N 3.33Å; F88-A90 PolarHBondContact O-N 3.01Å; A90-E93 PolarHBondContact O-N 3.27Å; A90-A94 WeakPolarHBondContact O-CB 3.41Å; A90-A94 PolarHBondContact O-N 3.49Å; A90-W325 HydrophobicContact CB-CH2 4.04Å
91T89.9Confident90.8Very high57 Ų5740 Ų4035%0.3524%0.243SC..Hα-helixtrans-64.3-42.4176.1-56.70000111P87 F88 A94 L95 F100P87-T91 WeakPolarHBondContact O-CB 3.42Å; P87-T91 PolarHBondContact O-N 3.09Å; P87-T91 PolarHBondContact O-OG1 2.8Å; F88-T91 PolarHBondContact O-N 2.81Å; T91-A94 PolarHBondContact O-N 2.86Å; T91-L95 HydrophobicContact CG2-CD1 3.81Å; T91-L95 HydrophobicContact CG2-CG 4.4Å; T91-L95 WeakPolarHBondContact O-CB 2.83Å; T91-L95 WeakPolarHBondContact O-CG 3.4Å; T91-L95 PolarHBondContact O-N 2.93Å; T91-F100 HydrophobicContact CG2-CE2 4.26Å; T91-F100 HydrophobicContact CG2-CZ 3.84Å
92S89.6Confident90.5Very high26 Ų2644.2 Ų44.218%0.18226%0.259CS..Hα-helixtrans-63.8-40.6176.6-169.50000112.4F88 S89 G96 R97F88-S92 WeakPolarHBondContact O-CB 3.43Å; F88-S92 PolarHBondContact O-N 3.4Å; S89-S92 PolarHBondContact O-N 3Å; S92-G96 WeakPolarHBondContact O-CA 3.37Å; S92-G96 PolarHBondContact O-N 3.35Å; S92-R97 PolarHBondContact O-N 3.09Å
93E88.5Confident90.3Very high59 Ų5949 Ų4928%0.27629%0.292SS..Hα-helixtrans-67.6-41.2177.1-171.566.3-152.400111.3L35 L39 S89 A90 G96 W325L35-E93 HydrophobicContact CD2-CG 3.89Å; L39-E93 HydrophobicContact CD1-CB 4.44Å; S89-E93 WeakPolarHBondContact O-CB 3.33Å; S89-E93 PolarHBondContact O-N 3.12Å; A90-E93 PolarHBondContact O-N 3.27Å; E93-G96 PolarHBondContact O-N 3.04Å; E93-W325 HydrophobicContact CB-CZ2 4.06Å; E93-W325 HydrophobicContact CG-CZ2 4.4Å
94A86.4Confident90.3Very high42 Ų4249.4 Ų49.435%0.34729%0.286SS..Hα-helixtrans-67.3-36.1178.700000113A90 T91A90-A94 WeakPolarHBondContact O-CB 3.41Å; A90-A94 PolarHBondContact O-N 3.49Å; T91-A94 PolarHBondContact O-N 2.86Å
95L85.7Confident90.2Very high91 Ų9148.9 Ų48.948%0.47628%0.281SS..Hα-helixtrans-85.4-15.7178-67.4175.9000113.3T91 R97 V99T91-L95 HydrophobicContact CG2-CD1 3.81Å; T91-L95 HydrophobicContact CG2-CG 4.4Å; T91-L95 WeakPolarHBondContact O-CB 2.83Å; T91-L95 WeakPolarHBondContact O-CG 3.4Å; T91-L95 PolarHBondContact O-N 2.93Å; L95-R97 HydrophobicContact CB-CG 4.17Å; L95-R97 PolarHBondContact O-N 3.49Å; L95-V99 HydrophobicContact CD1-CG1 3.9Å; L95-V99 HydrophobicContact CD1-CG2 4.11Å
96G85.9Confident90.1Very high70 Ų7051 Ų5172%0.72229%0.292SS*.THydrogen-bonded Turntrans66.110.9-17200000114.2S92 E93S92-G96 WeakPolarHBondContact O-CA 3.37Å; S92-G96 PolarHBondContact O-N 3.35Å; E93-G96 PolarHBondContact O-N 3.04Å
97R88.2Confident90.1Very high130 Ų13054.9 Ų54.949%0.49132%0.316SS..SBendtrans-154.1151.1-177.966.8-178.9-179.3100.92.9111.6S92 L95 V99S92-R97 PolarHBondContact O-N 3.09Å; L95-R97 HydrophobicContact CB-CG 4.17Å; L95-R97 PolarHBondContact O-N 3.49Å; R97-V99 HydrophobicContact CG-CG1 4.08Å
98W91.4Very high90.2Very high8 Ų853.8 Ų53.83%0.0331%0.307CS..  trans-82.8130.1173.4-171.4-105.7000111.1F88 F100 G101 F104 C105 W108 T180 C182F88-W98 HydrophobicContact CB-CH2 4.27Å; F88-W98 HydrophobicContact CB-CZ3 4.42Å; W98-F100 HydrophobicContact CD2-CD2 4.03Å; W98-F100 AromaticContact CE2-CD2 3.96Å; W98-F100 HydrophobicContact CE3-CD2 4.02Å; W98-F100 AromaticContact CH2-CD2 3.94Å; W98-F100 HydrophobicContact CH2-CD2 3.94Å; W98-F100 HydrophobicContact CZ2-CB 3.92Å; W98-F100 AromaticContact CZ2-CD2 3.96Å; W98-F100 HydrophobicContact CZ2-CD2 3.96Å; W98-F100 HydrophobicContact CZ2-CG 4.39Å; W98-F100 AromaticContact CZ3-CD2 3.96Å; W98-F100 HydrophobicContact CZ3-CD2 3.96Å; W98-F100 HydrophobicContact CZ3-CE2 4.46Å; W98-G101 PolarHBondContact NE1-O 3.32Å; W98-F104 AromaticContact CH2-CD1 4Å; W98-F104 HydrophobicContact CH2-CD1 4Å; W98-F104 HydrophobicContact CH2-CE1 4.24Å; W98-F104 AromaticContact CZ2-CD1 3.55Å; W98-F104 HydrophobicContact CZ2-CD1 3.55Å; W98-F104 HydrophobicContact CZ2-CE1 4.25Å; W98-F104 HydrophobicContact CZ2-CG 4.49Å; W98-C105 HydrophobicContact CZ2-CB 4.06Å; W98-W108 HydrophobicContact CH2-CB 3.94Å; W98-W108 AromaticContact CH2-CD2 3.99Å; W98-W108 HydrophobicContact CH2-CD2 3.99Å; W98-W108 HydrophobicContact CH2-CE3 4.45Å; W98-W108 AromaticContact CH2-CG 3.71Å; W98-W108 HydrophobicContact CH2-CG 3.71Å; W98-W108 HydrophobicContact CZ2-CB 4.3Å; W98-W108 HydrophobicContact CZ3-CD2 4.39Å; W98-W108 HydrophobicContact CZ3-CG 4.47Å; W98-T180 VanDerWaalsContact CB-O 3.28Å; W98-T180 WeakPolarHBondContact CB-O 3.5Å; W98-T180 PolarHBondContact N-O 2.86Å; W98-C182 HydrophobicContact CB-CB 3.76Å; W98-C182 HydrophobicContact CD2-CB 3.43Å; W98-C182 VanDerWaalsContact CD2-CB 3.43Å; W98-C182 HydrophobicContact CE3-CB 3.79Å; W98-C182 HydrophobicContact CG-CB 3.43Å; W98-C182 VanDerWaalsContact CG-CB 3.43Å
99V91.9Very high90.2Very high61 Ų6151.9 Ų51.937%0.3730%0.301SS..  trans-120.2-3-175.2-58.60000114.1L95 R97L95-V99 HydrophobicContact CD1-CG1 3.9Å; L95-V99 HydrophobicContact CD1-CG2 4.11Å; R97-V99 HydrophobicContact CG-CG1 4.08Å
100F91.2Very high90.3Very high69 Ų6952 Ų5230%0.30330%0.303SS..SBendtrans-93.81.1-171.9-54.2-74000113.4F88 T91 W98 F104F88-F100 HydrophobicContact CB-CE2 4.17Å; F88-F100 HydrophobicContact CD1-CD1 4.02Å; F88-F100 HydrophobicContact CD1-CD2 4.09Å; F88-F100 AromaticContact CD1-CE1 3.73Å; F88-F100 HydrophobicContact CD1-CE1 3.73Å; F88-F100 AromaticContact CD1-CE2 3.81Å; F88-F100 HydrophobicContact CD1-CE2 3.81Å; F88-F100 HydrophobicContact CD1-CG 4.2Å; F88-F100 AromaticContact CD1-CZ 3.61Å; F88-F100 HydrophobicContact CD1-CZ 3.61Å; F88-F100 HydrophobicContact CE1-CD1 4.26Å; F88-F100 HydrophobicContact CE1-CE1 4.01Å; F88-F100 HydrophobicContact CE1-CZ 4.31Å; F88-F100 HydrophobicContact CG-CE2 4.5Å; T91-F100 HydrophobicContact CG2-CE2 4.26Å; T91-F100 HydrophobicContact CG2-CZ 3.84Å; W98-F100 HydrophobicContact CD2-CD2 4.03Å; W98-F100 AromaticContact CE2-CD2 3.96Å; W98-F100 HydrophobicContact CE3-CD2 4.02Å; W98-F100 AromaticContact CH2-CD2 3.94Å; W98-F100 HydrophobicContact CH2-CD2 3.94Å; W98-F100 HydrophobicContact CZ2-CB 3.92Å; W98-F100 AromaticContact CZ2-CD2 3.96Å; W98-F100 HydrophobicContact CZ2-CD2 3.96Å; W98-F100 HydrophobicContact CZ2-CG 4.39Å; W98-F100 AromaticContact CZ3-CD2 3.96Å; W98-F100 HydrophobicContact CZ3-CD2 3.96Å; W98-F100 HydrophobicContact CZ3-CE2 4.46Å; F100-F104 HydrophobicContact CB-CB 3.99Å; F100-F104 HydrophobicContact CB-CD1 3.39Å; F100-F104 HydrophobicContact CB-CE1 4.22Å; F100-F104 HydrophobicContact CB-CG 3.96Å; F100-F104 HydrophobicContact CD2-CD1 4.43Å; F100-F104 AromaticContact CG-CD1 3.94Å; F100-F104 HydrophobicContact CG-CD1 3.94Å; F100-F104 HydrophobicContact CG-CE1 4.3Å; F100-F104 VanDerWaalsContact O-CB 3.29Å; F100-F104 WeakPolarHBondContact O-CB 3.44Å
101G90Very high90.5Very high28 Ų2853.2 Ų53.229%0.28931%0.308SS..  trans80.3168.2179.500000114.3W98 F104 C105W98-G101 PolarHBondContact NE1-O 3.32Å; G101-F104 PolarHBondContact O-N 3.21Å; G101-C105 PolarHBondContact O-N 3.3Å; G101-C105 VanDerWaalsContact O-N 3.15Å
102R87.9Confident90.7Very high92 Ų9250.9 Ų50.935%0.34729%0.293SS..Hα-helixtrans-65.3-43.8-173-70.3-180164.1152.1-8.8113.7F104 C105 N106 P176 E177 E179R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.32Å; R102-C105 WeakPolarHBondContact O-CB 3.41Å; R102-C105 PolarHBondContact O-N 3.41Å; R102-C105 VanDerWaalsContact O-N 3.14Å; R102-N106 PolarHBondContact O-N 3.11Å; R102-N106 VanDerWaalsContact O-N 3.14Å; R102-N106 PolarHBondContact O-ND2 3Å; R102-P176 PolarHBondContact NH2-O 2.88Å; R102-E177 PolarHBondContact NH2-O 2.88Å; R102-E179 WeakPolarHBondContact CD-OE1 3.19Å; R102-E179 HydrophobicContact CG-CB 4.42Å; R102-E179 HydrophobicContact CG-CG 4.38Å; R102-E179 VanDerWaalsContact CZ-CG 3.48Å; R102-E179 IonicContact CZ-OE1 2.69Å; R102-E179 IonicContact NE-OE1 3.99Å; R102-E179 PolarHBondContact NE-OE1 3.34Å; R102-E179 IonicContact NH1-OE1 3.34Å; R102-E179 PolarHBondContact NH1-OE1 2.91Å; R102-E179 IonicContact NH2-OE1 2.74Å
103S89.6Confident90.9Very high99 Ų9950.6 Ų50.669%0.69229%0.29SS*.Hα-helixtrans-60.2-41.6179.8-54.20000111.7N106 V107S103-N106 PolarHBondContact O-N 2.92Å; S103-V107 WeakPolarHBondContact O-CG2 3.49Å; S103-V107 PolarHBondContact O-N 2.91Å
104F92.4Very high91.2Very high67 Ų6749.3 Ų49.329%0.29429%0.285SS..Hα-helixtrans-70.1-34.5177.7-164.3-104000111.9F88 W98 F100 G101 R102 N106 V107 W108F88-F104 HydrophobicContact CB-CE1 4.14Å; F88-F104 HydrophobicContact CD1-CD1 4.43Å; F88-F104 AromaticContact CD1-CE1 3.38Å; F88-F104 HydrophobicContact CD1-CE1 3.38Å; F88-F104 AromaticContact CD1-CZ 3.76Å; F88-F104 HydrophobicContact CD1-CZ 3.76Å; F88-F104 HydrophobicContact CD2-CE1 4.04Å; F88-F104 AromaticContact CD2-CZ 3.95Å; F88-F104 HydrophobicContact CD2-CZ 3.95Å; F88-F104 AromaticContact CE1-CE1 3.67Å; F88-F104 HydrophobicContact CE1-CE1 3.67Å; F88-F104 AromaticContact CE1-CZ 3.59Å; F88-F104 HydrophobicContact CE1-CZ 3.59Å; F88-F104 HydrophobicContact CE2-CE1 4.29Å; F88-F104 AromaticContact CE2-CZ 3.78Å; F88-F104 HydrophobicContact CE2-CZ 3.78Å; F88-F104 AromaticContact CG-CE1 3.58Å; F88-F104 HydrophobicContact CG-CE1 3.58Å; F88-F104 AromaticContact CG-CZ 3.94Å; F88-F104 HydrophobicContact CG-CZ 3.94Å; F88-F104 HydrophobicContact CZ-CE1 4.12Å; F88-F104 AromaticContact CZ-CZ 3.59Å; F88-F104 HydrophobicContact CZ-CZ 3.59Å; W98-F104 AromaticContact CH2-CD1 4Å; W98-F104 HydrophobicContact CH2-CD1 4Å; W98-F104 HydrophobicContact CH2-CE1 4.24Å; W98-F104 AromaticContact CZ2-CD1 3.55Å; W98-F104 HydrophobicContact CZ2-CD1 3.55Å; W98-F104 HydrophobicContact CZ2-CE1 4.25Å; W98-F104 HydrophobicContact CZ2-CG 4.49Å; F100-F104 HydrophobicContact CB-CB 3.99Å; F100-F104 HydrophobicContact CB-CD1 3.39Å; F100-F104 HydrophobicContact CB-CE1 4.22Å; F100-F104 HydrophobicContact CB-CG 3.96Å; F100-F104 HydrophobicContact CD2-CD1 4.43Å; F100-F104 AromaticContact CG-CD1 3.94Å; F100-F104 HydrophobicContact CG-CD1 3.94Å; F100-F104 HydrophobicContact CG-CE1 4.3Å; F100-F104 VanDerWaalsContact O-CB 3.29Å; F100-F104 WeakPolarHBondContact O-CB 3.44Å; G101-F104 PolarHBondContact O-N 3.21Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.32Å; F104-N106 PolarHBondContact O-N 3.22Å; F104-V107 PolarHBondContact O-N 3.32Å; F104-W108 WeakPolarHBondContact O-CB 3.14Å; F104-W108 PolarHBondContact O-N 3.35Å
105C92.6Very high91.6Very high15 Ų1547.3 Ų47.310%0.10127%0.269CS..Hα-helixtrans-58.4-45.3173.61800000112.1W98 G101 R102 V107 W108 A109 C182W98-C105 HydrophobicContact CZ2-CB 4.06Å; G101-C105 PolarHBondContact O-N 3.3Å; G101-C105 VanDerWaalsContact O-N 3.15Å; R102-C105 WeakPolarHBondContact O-CB 3.41Å; R102-C105 PolarHBondContact O-N 3.41Å; R102-C105 VanDerWaalsContact O-N 3.14Å; C105-V107 PolarHBondContact O-N 3.42Å; C105-W108 PolarHBondContact O-N 3.45Å; C105-A109 WeakPolarHBondContact O-CB 3.35Å; C105-A109 PolarHBondContact O-N 3.41Å; C105-C182 VanDerWaalsContact CA-SG 3.55Å; C105-C182 HydrophobicContact CB-CB 3.86Å; C105-C182 WeakPolarHBondContact CB-SG 3.24Å; C105-C182 WeakPolarHBondContact SG-CA 3.31Å; C105-C182 WeakPolarHBondContact SG-CB 3.34Å; C105-C182 CovalentContact SG-SG 2.03Å; C105-C182 PolarHBondContact SG-SG 3.25Å
106N90.8Very high92Very high45 Ų4543.6 Ų43.624%0.24125%0.25CS..Hα-helixtrans-62.6-43.1177.8-68.2-46.1000112R102 S103 F104 A110 L168 K172R102-N106 PolarHBondContact O-N 3.11Å; R102-N106 VanDerWaalsContact O-N 3.14Å; R102-N106 PolarHBondContact O-ND2 3Å; S103-N106 PolarHBondContact O-N 2.92Å; F104-N106 PolarHBondContact O-N 3.22Å; N106-A110 WeakPolarHBondContact O-CB 3.44Å; N106-A110 PolarHBondContact O-N 3.26Å; N106-L168 HydrophobicContact CB-CD2 3.92Å; N106-K172 PolarHBondContact OD1-NZ 3.41Å
107V92.7Very high92.4Very high81 Ų8140.4 Ų40.449%0.49122%0.217SC..Hα-helixtrans-66.9-43.4177.1174.90000111S103 F104 C105 A110 L111S103-V107 WeakPolarHBondContact O-CG2 3.49Å; S103-V107 PolarHBondContact O-N 2.91Å; F104-V107 PolarHBondContact O-N 3.32Å; C105-V107 PolarHBondContact O-N 3.42Å; V107-A110 PolarHBondContact O-N 2.96Å; V107-L111 WeakPolarHBondContact O-CB 3.18Å; V107-L111 PolarHBondContact O-N 2.95Å
108W94.8Very high92.7Very high15 Ų1534.2 Ų34.26%0.05719%0.193CC..Hα-helixtrans-59.1-48.4177167.783.8000111.3V85 S89 W98 F104 C105 A110 L111 D112 C182 I184 F324V85-W108 PolarHBondContact O-NE1 2.94Å; S89-W108 VanDerWaalsContact OG-CZ2 3.27Å; S89-W108 WeakPolarHBondContact OG-CZ2 3.46Å; S89-W108 PolarHBondContact OG-NE1 3.26Å; W98-W108 HydrophobicContact CH2-CB 3.94Å; W98-W108 AromaticContact CH2-CD2 3.99Å; W98-W108 HydrophobicContact CH2-CD2 3.99Å; W98-W108 HydrophobicContact CH2-CE3 4.45Å; W98-W108 AromaticContact CH2-CG 3.71Å; W98-W108 HydrophobicContact CH2-CG 3.71Å; W98-W108 HydrophobicContact CZ2-CB 4.3Å; W98-W108 HydrophobicContact CZ3-CD2 4.39Å; W98-W108 HydrophobicContact CZ3-CG 4.47Å; F104-W108 WeakPolarHBondContact O-CB 3.14Å; F104-W108 PolarHBondContact O-N 3.35Å; C105-W108 PolarHBondContact O-N 3.45Å; W108-A110 PolarHBondContact O-N 3.19Å; W108-L111 PolarHBondContact O-N 3.39Å; W108-D112 WeakPolarHBondContact O-CB 3.49Å; W108-D112 PolarHBondContact O-N 3.42Å; W108-C182 VanDerWaalsContact CE3-SG 3.56Å; W108-I184 HydrophobicContact CH2-CD1 4.23Å; W108-I184 HydrophobicContact CH2-CG1 3.93Å; W108-I184 HydrophobicContact CZ3-CG1 3.9Å; W108-F324 HydrophobicContact CH2-CZ 4.29Å; W108-F324 HydrophobicContact CZ2-CE1 4.38Å; W108-F324 HydrophobicContact CZ2-CZ 4.25Å
109A92.8Very high92.8Very high15 Ų1534 Ų3412%0.12419%0.193CC..Hα-helixtrans-64.1-41.9178.800000112C105 D112 V113C105-A109 WeakPolarHBondContact O-CB 3.35Å; C105-A109 PolarHBondContact O-N 3.41Å; A109-D112 PolarHBondContact O-N 2.97Å; A109-V113 WeakPolarHBondContact O-CG2 3.41Å; A109-V113 PolarHBondContact O-N 3.33Å; A109-V113 VanDerWaalsContact O-N 3.16Å
110A94.1Very high92.8Very high12 Ų1231.2 Ų31.210%0.09918%0.176CC..Hα-helixtrans-65.3-40.4175.400000111.8N106 V107 W108 L114 S164 L168N106-A110 WeakPolarHBondContact O-CB 3.44Å; N106-A110 PolarHBondContact O-N 3.26Å; V107-A110 PolarHBondContact O-N 2.96Å; W108-A110 PolarHBondContact O-N 3.19Å; A110-L114 VanDerWaalsContact O-CB 3.26Å; A110-L114 WeakPolarHBondContact O-CB 3.37Å; A110-L114 PolarHBondContact O-N 3.28Å; A110-S164 VanDerWaalsContact O-CB 3.29Å; A110-S164 WeakPolarHBondContact O-CB 3.24Å; A110-L168 HydrophobicContact CB-CD1 3.92Å; A110-L168 HydrophobicContact CB-CD2 4.39Å; A110-L168 HydrophobicContact CB-CG 4.18Å
111L94.8Very high93Very high36 Ų3629.3 Ų29.319%0.18817%0.169CC..Hα-helixtrans-68.5-37.6178.8-173.759.3000112L80 A84 V85 V107 W108 L114 C115L80-L111 HydrophobicContact CD2-CD1 3.99Å; L80-L111 HydrophobicContact CG-CD1 4.17Å; A84-L111 HydrophobicContact CB-CD2 3.53Å; V85-L111 HydrophobicContact CG2-CB 4.19Å; V85-L111 HydrophobicContact CG2-CD2 3.98Å; V85-L111 HydrophobicContact CG2-CG 3.75Å; V107-L111 WeakPolarHBondContact O-CB 3.18Å; V107-L111 PolarHBondContact O-N 2.95Å; W108-L111 PolarHBondContact O-N 3.39Å; L111-L114 HydrophobicContact CD1-CD2 4.04Å; L111-L114 PolarHBondContact O-N 2.95Å; L111-C115 WeakPolarHBondContact O-CB 3.49Å; L111-C115 PolarHBondContact O-N 3.35Å; L111-C115 PolarHBondContact O-SG 3.17Å
112D93.9Very high93.1Very high7 Ų728.1 Ų28.14%0.03716%0.156CC..Hα-helixtrans-57.8-54.6173.9-176.659.8000110.9V85 W108 A109 L114 C115 C116 I184 Y328V85-D112 HydrophobicContact CG1-CB 3.89Å; V85-D112 WeakPolarHBondContact CG1-OD1 3.44Å; W108-D112 WeakPolarHBondContact O-CB 3.49Å; W108-D112 PolarHBondContact O-N 3.42Å; A109-D112 PolarHBondContact O-N 2.97Å; D112-L114 PolarHBondContact O-N 2.93Å; D112-C115 PolarHBondContact O-N 3Å; D112-C116 WeakPolarHBondContact O-CB 3.37Å; D112-C116 PolarHBondContact O-N 3.37Å; D112-C116 PolarHBondContact O-SG 3.16Å; D112-I184 WeakPolarHBondContact OD2-CD1 3.38Å; D112-Y328 WeakPolarHBondContact OD1-CE1 3.49Å; D112-Y328 PolarHBondContact OD1-OH 3.01Å
113V93.5Very high93.2Very high20 Ų2023.9 Ų23.912%0.12114%0.14CC..Hα-helixtrans-59.2-47.3176.5177.50000110.5A109 C115 C116 T117 I163A109-V113 WeakPolarHBondContact O-CG2 3.41Å; A109-V113 PolarHBondContact O-N 3.33Å; A109-V113 VanDerWaalsContact O-N 3.16Å; V113-C115 PolarHBondContact O-N 3.19Å; V113-C116 PolarHBondContact O-N 3.46Å; V113-T117 WeakPolarHBondContact O-CB 3.46Å; V113-T117 PolarHBondContact O-N 3.06Å; V113-T117 PolarHBondContact O-OG1 3.09Å; V113-I163 HydrophobicContact CG1-CG2 4.27Å
114L95.5Very high93.3Very high32 Ų3219.5 Ų19.517%0.16811%0.11CC..Hα-helixtrans-54.2-50.7179.417870.7000112.1A110 L111 D112 A118 W157 A161A110-L114 VanDerWaalsContact O-CB 3.26Å; A110-L114 WeakPolarHBondContact O-CB 3.37Å; A110-L114 PolarHBondContact O-N 3.28Å; L111-L114 HydrophobicContact CD1-CD2 4.04Å; L111-L114 PolarHBondContact O-N 2.95Å; D112-L114 PolarHBondContact O-N 2.93Å; L114-A118 VanDerWaalsContact O-CB 3.25Å; L114-A118 WeakPolarHBondContact O-CB 3.37Å; L114-A118 PolarHBondContact O-N 2.92Å; L114-W157 HydrophobicContact CD1-CE3 4.35Å; L114-W157 HydrophobicContact CD1-CZ3 4.5Å; L114-W157 HydrophobicContact CD2-CZ3 4.32Å; L114-W157 HydrophobicContact CG-CZ3 4.17Å; L114-A161 HydrophobicContact CD1-CB 3.94Å
115C94.7Very high93.3Very high0 Ų017.8 Ų17.80%010%0.104CC..Hα-helixtrans-69.5-40-176.1-630000111.7L80 L81 L111 D112 V113 A118 S119L80-C115 VanDerWaalsContact CD2-SG 3.59Å; L80-C115 VanDerWaalsContact CG-SG 3.55Å; L81-C115 HydrophobicContact CB-CB 3.89Å; L81-C115 HydrophobicContact CD1-CB 3.98Å; L111-C115 WeakPolarHBondContact O-CB 3.49Å; L111-C115 PolarHBondContact O-N 3.35Å; L111-C115 PolarHBondContact O-SG 3.17Å; D112-C115 PolarHBondContact O-N 3Å; V113-C115 PolarHBondContact O-N 3.19Å; C115-A118 PolarHBondContact O-N 3.01Å; C115-S119 WeakPolarHBondContact O-CB 3.08Å; C115-S119 PolarHBondContact O-N 3.42Å; C115-S119 PolarHBondContact O-OG 3.14Å
116C92.3Very high93.1Very high14 Ų1417.6 Ų17.610%0.09510%0.102CC..Hα-helixtrans-66-44.8178.7-63.60000111.2D112 V113 S119 I120 W297D112-C116 WeakPolarHBondContact O-CB 3.37Å; D112-C116 PolarHBondContact O-N 3.37Å; D112-C116 PolarHBondContact O-SG 3.16Å; V113-C116 PolarHBondContact O-N 3.46Å; C116-S119 PolarHBondContact O-N 2.93Å; C116-I120 WeakPolarHBondContact O-CG2 3.14Å; C116-I120 PolarHBondContact O-N 3.11Å; C116-I120 VanDerWaalsContact O-N 3.11Å; C116-W297 HydrophobicContact CB-CH2 3.84Å; C116-W297 HydrophobicContact CB-CZ2 4.16Å; C116-W297 WeakPolarHBondContact SG-CH2 3.26Å
117T94.4Very high92.9Very high2 Ų215.6 Ų15.61%0.0129%0.092CC..Hα-helixtrans-64.4-40.6175-52.50000111.7V113 S119 I120 L121 I163 S198V113-T117 WeakPolarHBondContact O-CB 3.46Å; V113-T117 PolarHBondContact O-N 3.06Å; V113-T117 PolarHBondContact O-OG1 3.09Å; T117-S119 VanDerWaalsContact C-N 3.3Å; T117-S119 PolarHBondContact O-N 2.79Å; T117-I120 WeakPolarHBondContact O-CG2 3.12Å; T117-L121 HydrophobicContact CG2-CD1 3.85Å; T117-L121 HydrophobicContact CG2-CG 4.31Å; T117-L121 WeakPolarHBondContact O-CB 3.45Å; T117-L121 VanDerWaalsContact O-CG 3.26Å; T117-L121 WeakPolarHBondContact O-CG 3.16Å; T117-L121 PolarHBondContact O-N 3.31Å; T117-I163 HydrophobicContact CG2-CD1 3.92Å; T117-S198 VanDerWaalsContact OG1-CB 3.25Å; T117-S198 WeakPolarHBondContact OG1-CB 3.33Å; T117-S198 PolarHBondContact OG1-OG 2.93Å
118A95.8Very high92.8Very high0 Ų014.9 Ų14.90%09%0.085CC..Hα-helixtrans-63.8-37.7176.300000111.9A77 L114 C115 S122 L156 W157 S160A77-A118 HydrophobicContact CB-CB 4.12Å; L114-A118 VanDerWaalsContact O-CB 3.25Å; L114-A118 WeakPolarHBondContact O-CB 3.37Å; L114-A118 PolarHBondContact O-N 2.92Å; C115-A118 PolarHBondContact O-N 3.01Å; A118-S122 VanDerWaalsContact O-CB 3.3Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 2.85Å; A118-S122 PolarHBondContact O-OG 2.91Å; A118-L156 HydrophobicContact CB-CD1 4.33Å; A118-W157 HydrophobicContact CB-CD2 4.38Å; A118-W157 HydrophobicContact CB-CE3 4.1Å; A118-W157 HydrophobicContact CB-CH2 4.02Å; A118-W157 HydrophobicContact CB-CZ2 4.29Å; A118-W157 HydrophobicContact CB-CZ3 3.92Å; A118-S160 VanDerWaalsContact CA-OG 3.29Å; A118-S160 WeakPolarHBondContact CA-OG 3.39Å; A118-S160 PolarHBondContact N-OG 3.33Å
119S93.3Very high92.4Very high3 Ų314.7 Ų14.72%0.0219%0.085CC..Hα-helixtrans-69-48.4-178.6-59.50000112.2A77 C115 C116 T117 S122 L123A77-S119 WeakPolarHBondContact CB-OG 3.35Å; C115-S119 WeakPolarHBondContact O-CB 3.08Å; C115-S119 PolarHBondContact O-N 3.42Å; C115-S119 PolarHBondContact O-OG 3.14Å; C116-S119 PolarHBondContact O-N 2.93Å; T117-S119 VanDerWaalsContact C-N 3.3Å; T117-S119 PolarHBondContact O-N 2.79Å; S119-S122 WeakPolarHBondContact O-CB 3.37Å; S119-S122 PolarHBondContact O-N 2.86Å; S119-L123 PolarHBondContact O-N 2.96Å
120I92.4Very high92Very high4 Ų416.5 Ų16.52%0.0219%0.088CC..Hα-helixtrans-68.7-39.7177.7-171-177.7000112.8C116 T117 S122 L123 C124 S198 F199 P202 I206 F293C116-I120 WeakPolarHBondContact O-CG2 3.14Å; C116-I120 PolarHBondContact O-N 3.11Å; C116-I120 VanDerWaalsContact O-N 3.11Å; T117-I120 WeakPolarHBondContact O-CG2 3.12Å; I120-S122 PolarHBondContact O-N 3.49Å; I120-L123 WeakPolarHBondContact O-CA 3.28Å; I120-L123 WeakPolarHBondContact O-CB 3.44Å; I120-L123 PolarHBondContact O-N 3Å; I120-L123 VanDerWaalsContact O-N 3.07Å; I120-C124 PolarHBondContact O-N 3.4Å; I120-C124 PolarHBondContact O-SG 3.48Å; I120-C124 VanDerWaalsContact O-SG 3.37Å; I120-S198 WeakPolarHBondContact CD1-O 3.26Å; I120-S198 WeakPolarHBondContact CG2-O 3.25Å; I120-F199 HydrophobicContact CD1-CB 4.45Å; I120-F199 HydrophobicContact CD1-CD2 3.82Å; I120-F199 HydrophobicContact CD1-CG 4.48Å; I120-P202 HydrophobicContact CD1-CB 3.6Å; I120-P202 HydrophobicContact CD1-CG 4.31Å; I120-P202 HydrophobicContact CG1-CB 3.85Å; I120-I206 HydrophobicContact CG1-CD1 4.4Å; I120-F293 HydrophobicContact CB-CE1 4.45Å; I120-F293 HydrophobicContact CB-CE2 3.97Å; I120-F293 HydrophobicContact CB-CZ 3.61Å; I120-F293 HydrophobicContact CD1-CE1 3.48Å; I120-F293 VanDerWaalsContact CD1-CE1 3.48Å; I120-F293 HydrophobicContact CD1-CE2 4.44Å; I120-F293 HydrophobicContact CD1-CZ 3.31Å; I120-F293 HydrophobicContact CG1-CE1 3.64Å; I120-F293 HydrophobicContact CG1-CE2 4.02Å; I120-F293 HydrophobicContact CG1-CZ 3.28Å
121L94.2Very high91.5Very high29 Ų2917.9 Ų17.915%0.1529%0.091CC..Hα-helixtrans-64-33.9173.8-70.1177.3000111.5T117 C124 V125 L156 V159 P202T117-L121 HydrophobicContact CG2-CD1 3.85Å; T117-L121 HydrophobicContact CG2-CG 4.31Å; T117-L121 WeakPolarHBondContact O-CB 3.45Å; T117-L121 VanDerWaalsContact O-CG 3.26Å; T117-L121 WeakPolarHBondContact O-CG 3.16Å; T117-L121 PolarHBondContact O-N 3.31Å; L121-C124 WeakPolarHBondContact O-CB 3.46Å; L121-C124 PolarHBondContact O-N 3.35Å; L121-V125 WeakPolarHBondContact O-CG2 3.37Å; L121-V125 PolarHBondContact O-N 3.46Å; L121-L156 HydrophobicContact CB-CB 4.02Å; L121-L156 HydrophobicContact CD1-CB 4.36Å; L121-V159 HydrophobicContact CD1-CB 4.15Å; L121-V159 HydrophobicContact CD1-CG1 3.85Å; L121-P202 HydrophobicContact CD2-CB 4.43Å; L121-P202 HydrophobicContact CD2-CG 3.86Å
122S93.3Very high91Very high2 Ų218.3 Ų18.31%0.0149%0.093CC..Hα-helixtrans-62.2-42.3170.9-62.60000111.5N73 A118 S119 I120 C124 V125 I126N73-S122 PolarHBondContact ND2-OG 3.19Å; A118-S122 VanDerWaalsContact O-CB 3.3Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 2.85Å; A118-S122 PolarHBondContact O-OG 2.91Å; S119-S122 WeakPolarHBondContact O-CB 3.37Å; S119-S122 PolarHBondContact O-N 2.86Å; I120-S122 PolarHBondContact O-N 3.49Å; S122-C124 VanDerWaalsContact C-N 3.34Å; S122-C124 PolarHBondContact O-N 3.36Å; S122-V125 PolarHBondContact O-N 3.33Å; S122-I126 WeakPolarHBondContact O-CB 3.21Å; S122-I126 WeakPolarHBondContact O-CD1 3.49Å; S122-I126 WeakPolarHBondContact O-CG1 3.35Å; S122-I126 PolarHBondContact O-N 2.93Å
123L89.3Confident90.5Very high4 Ų418.7 Ų18.72%0.02110%0.098CC..Hα-helixtrans-63-37.1173.4-70.4173.3000112.6L74 S119 I120 I126 S127 I206 V289 F293L74-L123 HydrophobicContact CD2-CD2 3.61Å; L74-L123 HydrophobicContact CD2-CG 4.12Å; S119-L123 PolarHBondContact O-N 2.96Å; I120-L123 WeakPolarHBondContact O-CA 3.28Å; I120-L123 WeakPolarHBondContact O-CB 3.44Å; I120-L123 PolarHBondContact O-N 3Å; I120-L123 VanDerWaalsContact O-N 3.07Å; L123-I126 PolarHBondContact O-N 3.39Å; L123-S127 WeakPolarHBondContact O-CB 3.4Å; L123-S127 PolarHBondContact O-N 2.94Å; L123-S127 PolarHBondContact O-OG 2.64Å; L123-I206 HydrophobicContact CB-CD1 4.15Å; L123-V289 HydrophobicContact CD2-CG1 3.71Å; L123-F293 HydrophobicContact CD1-CB 4.07Å; L123-F293 HydrophobicContact CD1-CD1 4.47Å; L123-F293 HydrophobicContact CD1-CD2 3.26Å; L123-F293 HydrophobicContact CD1-CE2 3.85Å; L123-F293 HydrophobicContact CD1-CG 3.65Å
124C91.9Very high89.6Confident7 Ų719.2 Ų19.25%0.04710%0.101CC..Hα-helixtrans-60.7-49.4172.4-64.50000111.8I120 L121 S122 I126 S127 I128 P202 I206I120-C124 PolarHBondContact O-N 3.4Å; I120-C124 PolarHBondContact O-SG 3.48Å; I120-C124 VanDerWaalsContact O-SG 3.37Å; L121-C124 WeakPolarHBondContact O-CB 3.46Å; L121-C124 PolarHBondContact O-N 3.35Å; S122-C124 VanDerWaalsContact C-N 3.34Å; S122-C124 PolarHBondContact O-N 3.36Å; C124-I126 VanDerWaalsContact C-N 3.33Å; C124-I126 PolarHBondContact O-N 3.31Å; C124-S127 WeakPolarHBondContact O-CB 3.31Å; C124-S127 PolarHBondContact O-N 3.17Å; C124-S127 VanDerWaalsContact O-N 3.1Å; C124-I128 WeakPolarHBondContact O-CG1 3.38Å; C124-I128 PolarHBondContact O-N 3.48Å; C124-P202 VanDerWaalsContact SG-C 3.59Å; C124-P202 WeakPolarHBondContact SG-CA 3.38Å; C124-P202 WeakPolarHBondContact SG-CB 3.28Å; C124-P202 PolarHBondContact SG-O 2.92Å; C124-I206 HydrophobicContact CB-CG1 4.24Å; C124-I206 VanDerWaalsContact SG-CD1 3.55Å; C124-I206 VanDerWaalsContact SG-CG1 3.55Å
125V91.9Very high88.9Confident30 Ų3018.8 Ų18.818%0.18210%0.1CC..Hα-helixtrans-63-41.5179.8172.50000110.8F70 L121 S122 S127 I128 D129 A152 L156F70-V125 HydrophobicContact CD1-CG1 3.81Å; F70-V125 HydrophobicContact CD2-CG1 3.98Å; F70-V125 HydrophobicContact CE1-CG1 3.51Å; F70-V125 HydrophobicContact CE2-CG1 3.66Å; F70-V125 HydrophobicContact CG-CG1 4.05Å; F70-V125 HydrophobicContact CZ-CG1 3.43Å; F70-V125 VanDerWaalsContact CZ-CG1 3.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.37Å; L121-V125 PolarHBondContact O-N 3.46Å; S122-V125 PolarHBondContact O-N 3.33Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 3.42Å; V125-I128 PolarHBondContact O-N 2.72Å; V125-D129 WeakPolarHBondContact O-CB 3.27Å; V125-D129 PolarHBondContact O-N 2.96Å; V125-A152 HydrophobicContact CG1-CB 4.48Å; V125-L156 HydrophobicContact CG2-CD2 4.4Å
126I89.1Confident88.2Confident11 Ų1123.7 Ų23.76%0.05612%0.12CC..Hα-helixtrans-58.8-45.7172.5-68.6164.2000109.9F70 L74 S122 L123 C124 I128 D129 R130 L286F70-I126 HydrophobicContact CB-CD1 4.29Å; F70-I126 HydrophobicContact CB-CG1 3.63Å; L74-I126 HydrophobicContact CB-CD1 4.47Å; L74-I126 HydrophobicContact CD2-CD1 3.88Å; S122-I126 WeakPolarHBondContact O-CB 3.21Å; S122-I126 WeakPolarHBondContact O-CD1 3.49Å; S122-I126 WeakPolarHBondContact O-CG1 3.35Å; S122-I126 PolarHBondContact O-N 2.93Å; L123-I126 PolarHBondContact O-N 3.39Å; C124-I126 VanDerWaalsContact C-N 3.33Å; C124-I126 PolarHBondContact O-N 3.31Å; I126-I128 VanDerWaalsContact C-N 3.33Å; I126-I128 PolarHBondContact O-N 2.73Å; I126-D129 PolarHBondContact O-N 3.04Å; I126-R130 HydrophobicContact CG2-CG 4.2Å; I126-R130 WeakPolarHBondContact O-CB 3.27Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 3.16Å; I126-L286 HydrophobicContact CG2-CD2 4.15Å
127S87Confident87.5Confident3 Ų325.6 Ų25.62%0.02113%0.132CC..Hα-helixtrans-61.2-41.2179.6-55.20000112.3L123 C124 V125 R130 Y131 Y210L123-S127 WeakPolarHBondContact O-CB 3.4Å; L123-S127 PolarHBondContact O-N 2.94Å; L123-S127 PolarHBondContact O-OG 2.64Å; C124-S127 WeakPolarHBondContact O-CB 3.31Å; C124-S127 PolarHBondContact O-N 3.17Å; C124-S127 VanDerWaalsContact O-N 3.1Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 3.42Å; S127-R130 PolarHBondContact O-N 3.32Å; S127-Y131 WeakPolarHBondContact O-CB 3.49Å; S127-Y131 PolarHBondContact O-N 3.48Å; S127-Y210 WeakPolarHBondContact OG-CE2 3.31Å
128I89.1Confident86.8Confident67 Ų6733.3 Ų33.334%0.34417%0.172SC..Hα-helixtrans-66.3-46.7175-66166.1000110.9C124 V125 I126 R130 Y131 L132 I205 M209C124-I128 WeakPolarHBondContact O-CG1 3.38Å; C124-I128 PolarHBondContact O-N 3.48Å; V125-I128 PolarHBondContact O-N 2.72Å; I126-I128 VanDerWaalsContact C-N 3.33Å; I126-I128 PolarHBondContact O-N 2.73Å; I128-R130 VanDerWaalsContact C-N 3.26Å; I128-R130 PolarHBondContact O-N 3.16Å; I128-Y131 WeakPolarHBondContact O-CB 3.33Å; I128-Y131 PolarHBondContact O-N 3.06Å; I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 HydrophobicContact CG2-CG 4.4Å; I128-L132 WeakPolarHBondContact O-CG 3.21Å; I128-L132 PolarHBondContact O-N 3.37Å; I128-I205 HydrophobicContact CD1-CG2 4.22Å; I128-I205 HydrophobicContact CG1-CG2 4.47Å; I128-M209 HydrophobicContact CG1-CG 3.92Å; I128-M209 HydrophobicContact CG1-SD 4.24Å
129D88.1Confident86.1Confident11 Ų1141.6 Ų41.66%0.05920%0.204CC..Hα-helixtrans-55.9-43.8176.9171.874.3000111.3T67 F70 V125 I126 L132 A133 Y140T67-D129 PolarHBondContact OG1-OD2 2.9Å; F70-D129 HydrophobicContact CD2-CB 4.14Å; F70-D129 HydrophobicContact CE2-CB 3.96Å; V125-D129 WeakPolarHBondContact O-CB 3.27Å; V125-D129 PolarHBondContact O-N 2.96Å; I126-D129 PolarHBondContact O-N 3.04Å; D129-L132 PolarHBondContact O-N 2.85Å; D129-A133 WeakPolarHBondContact O-CB 3.34Å; D129-A133 PolarHBondContact O-N 3.03Å; D129-Y140 VanDerWaalsContact OD1-CE2 3.28Å; D129-Y140 WeakPolarHBondContact OD1-CE2 3.44Å; D129-Y140 PolarHBondContact OD1-OH 2.85Å; D129-Y140 PolarHBondContact OD2-OH 2.92Å
130R83.1Confident85.7Confident53 Ų5343.1 Ų43.120%0.221%0.209CC..Hα-helixtrans-68.2-41.2178.3-63.5-67.190.8-156.2-10.4111.9T67 I126 S127 I128 L132 A133 V134 Y140 L286T67-R130 PolarHBondContact OG1-NH2 3.2Å; I126-R130 HydrophobicContact CG2-CG 4.2Å; I126-R130 WeakPolarHBondContact O-CB 3.27Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 3.16Å; S127-R130 PolarHBondContact O-N 3.32Å; I128-R130 VanDerWaalsContact C-N 3.26Å; I128-R130 PolarHBondContact O-N 3.16Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 2.81Å; R130-A133 PolarHBondContact O-N 3.01Å; R130-V134 WeakPolarHBondContact O-CG2 3.32Å; R130-V134 PolarHBondContact O-N 3.04Å; R130-Y140 PolarHBondContact NH2-OH 3.44Å; R130-L286 HydrophobicContact CB-CD1 3.59Å; R130-L286 HydrophobicContact CG-CD1 3.33Å; R130-L286 HydrophobicContact CG-CD2 3.8Å; R130-L286 HydrophobicContact CG-CG 4.2Å
131Y83.5Confident85.2Confident40 Ų4047.4 Ų47.416%0.15724%0.237CC..Hα-helixtrans-58-46.2172.1169.9-105.9000112.1S127 I128 A133 V134 S135 Y136 M209 Q212 V213S127-Y131 WeakPolarHBondContact O-CB 3.49Å; S127-Y131 PolarHBondContact O-N 3.48Å; I128-Y131 WeakPolarHBondContact O-CB 3.33Å; I128-Y131 PolarHBondContact O-N 3.06Å; Y131-A133 VanDerWaalsContact C-N 3.34Å; Y131-A133 PolarHBondContact O-N 3.13Å; Y131-V134 PolarHBondContact O-N 3.2Å; Y131-S135 WeakPolarHBondContact CD2-OG 3.39Å; Y131-S135 WeakPolarHBondContact CE2-OG 3.3Å; Y131-S135 WeakPolarHBondContact O-CB 3.33Å; Y131-S135 PolarHBondContact O-N 3.28Å; Y131-S135 PolarHBondContact O-OG 2.89Å; Y131-S135 VanDerWaalsContact O-OG 3.08Å; Y131-Y136 HydrophobicContact CE1-CE2 4.31Å; Y131-M209 HydrophobicContact CD1-SD 3.8Å; Y131-M209 HydrophobicContact CE1-SD 4.4Å; Y131-M209 HydrophobicContact CG-SD 3.98Å; Y131-Q212 HydrophobicContact CD2-CB 3.82Å; Y131-Q212 HydrophobicContact CE2-CB 3.5Å; Y131-Q212 VanDerWaalsContact CE2-CB 3.5Å; Y131-Q212 HydrophobicContact CE2-CG 4.44Å; Y131-V213 HydrophobicContact CD2-CG2 3.89Å; Y131-V213 HydrophobicContact CG-CG2 4.34Å
132L85.7Confident84.7Confident45 Ų4549.7 Ų49.724%0.23626%0.26CS..Hα-helixtrans-64.5-39178.5-68.1173.6000112.3I128 D129 R130 Y136 Y140 I143I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 HydrophobicContact CG2-CG 4.4Å; I128-L132 WeakPolarHBondContact O-CG 3.21Å; I128-L132 PolarHBondContact O-N 3.37Å; D129-L132 PolarHBondContact O-N 2.85Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 2.81Å; L132-Y136 HydrophobicContact CD2-CD2 4.12Å; L132-Y136 HydrophobicContact CD2-CE2 4.45Å; L132-Y136 CarbonylContact O-C 3.59Å; L132-Y136 PolarHBondContact O-N 3.33Å; L132-Y140 HydrophobicContact CB-CD2 4.03Å; L132-Y140 HydrophobicContact CB-CE2 4.48Å; L132-I143 HydrophobicContact CD1-CG2 4.4Å
133A81.8Confident84.2Confident15 Ų1552.4 Ų52.412%0.12427%0.274CS..Hα-helixtrans-64.7-42.9177.800000112.4D129 R130 Y131 Y140D129-A133 WeakPolarHBondContact O-CB 3.34Å; D129-A133 PolarHBondContact O-N 3.03Å; R130-A133 PolarHBondContact O-N 3.01Å; Y131-A133 VanDerWaalsContact C-N 3.34Å; Y131-A133 PolarHBondContact O-N 3.13Å; A133-Y140 HydrophobicContact CB-CD1 4.34Å; A133-Y140 HydrophobicContact CB-CD2 3.87Å; A133-Y140 HydrophobicContact CB-CE1 4.32Å; A133-Y140 HydrophobicContact CB-CE2 3.83Å; A133-Y140 HydrophobicContact CB-CG 4.12Å
134V76.4Confident83.8Confident31 Ų3153.5 Ų53.519%0.18828%0.283CS..Hα-helixtrans-77.8-43.7-178.4174.40000111.8R130 Y131 V213 V216R130-V134 WeakPolarHBondContact O-CG2 3.32Å; R130-V134 PolarHBondContact O-N 3.04Å; Y131-V134 PolarHBondContact O-N 3.2Å; V134-V213 HydrophobicContact CG1-CG1 4.43Å; V134-V216 HydrophobicContact CG1-CG1 4.48Å
135S78.9Confident83.5Confident23 Ų2355.7 Ų55.716%0.16130%0.297CS..Hα-helixtrans-80.2-27.5-174.4-58.80000113.3Y131Y131-S135 WeakPolarHBondContact CD2-OG 3.39Å; Y131-S135 WeakPolarHBondContact CE2-OG 3.3Å; Y131-S135 WeakPolarHBondContact O-CB 3.33Å; Y131-S135 PolarHBondContact O-N 3.28Å; Y131-S135 PolarHBondContact O-OG 2.89Å; Y131-S135 VanDerWaalsContact O-OG 3.08Å
136Y80.4Confident83.1Confident103 Ų10356.7 Ų56.740%0.40431%0.313SS..  trans-134.860.9-176-54.2-72.4000112.9Y131 L132 L138 R139 Y140Y131-Y136 HydrophobicContact CE1-CE2 4.31Å; L132-Y136 HydrophobicContact CD2-CD2 4.12Å; L132-Y136 HydrophobicContact CD2-CE2 4.45Å; L132-Y136 CarbonylContact O-C 3.59Å; L132-Y136 PolarHBondContact O-N 3.33Å; Y136-L138 PolarHBondContact O-N 2.89Å; Y136-L138 VanDerWaalsContact O-N 3.09Å; Y136-R139 PolarHBondContact O-N 2.89Å; Y136-Y140 WeakPolarHBondContact O-CB 3.43Å; Y136-Y140 PolarHBondContact O-N 2.91Å
137P77.9Confident83.1Confident54 Ų5466.7 Ų66.735%0.35135%0.35SS..THydrogen-bonded Turntrans-60.2-29-171.423.4-34.9000114.3P141P137-P141 WeakPolarHBondContact O-CD 3.27Å
138L79.5Confident83.2Confident165 Ų16573.8 Ų73.886%0.86438%0.377SS*.THydrogen-bonded Turntrans-82.6-28.1178.3-62.4177.5000113.5Y136Y136-L138 PolarHBondContact O-N 2.89Å; Y136-L138 VanDerWaalsContact O-N 3.09Å
139R82.1Confident83.2Confident174 Ų17471 Ų7166%0.65737%0.365SS*.THydrogen-bonded Turntrans-93.4-23.5179.8-63.7-176.9177.1-179.5-0.8112.1Y136 A142 I143Y136-R139 PolarHBondContact O-N 2.89Å; R139-A142 PolarHBondContact O-N 3.44Å; R139-I143 HydrophobicContact CB-CD1 3.94Å; R139-I143 WeakPolarHBondContact O-CG1 3.22Å; R139-I143 PolarHBondContact O-N 3.25Å; R139-I143 VanDerWaalsContact O-N 3.13Å
140Y83.6Confident83.3Confident35 Ų3576.4 Ų76.414%0.13739%0.393CS..Hα-helixtrans-51.4-46.9-179.1177.7-100.1000113.4T67 D129 R130 L132 A133 Y136 A142 I143 A144T67-Y140 PolarHBondContact OG1-OH 3.34Å; D129-Y140 VanDerWaalsContact OD1-CE2 3.28Å; D129-Y140 WeakPolarHBondContact OD1-CE2 3.44Å; D129-Y140 PolarHBondContact OD1-OH 2.85Å; D129-Y140 PolarHBondContact OD2-OH 2.92Å; R130-Y140 PolarHBondContact NH2-OH 3.44Å; L132-Y140 HydrophobicContact CB-CD2 4.03Å; L132-Y140 HydrophobicContact CB-CE2 4.48Å; A133-Y140 HydrophobicContact CB-CD1 4.34Å; A133-Y140 HydrophobicContact CB-CD2 3.87Å; A133-Y140 HydrophobicContact CB-CE1 4.32Å; A133-Y140 HydrophobicContact CB-CE2 3.83Å; A133-Y140 HydrophobicContact CB-CG 4.12Å; Y136-Y140 WeakPolarHBondContact O-CB 3.43Å; Y136-Y140 PolarHBondContact O-N 2.91Å; Y140-A142 PolarHBondContact O-N 2.98Å; Y140-I143 PolarHBondContact O-N 3.4Å; Y140-A144 HydrophobicContact CD1-CB 4.27Å; Y140-A144 HydrophobicContact CD2-CB 4.13Å; Y140-A144 HydrophobicContact CE1-CB 3.87Å; Y140-A144 HydrophobicContact CE2-CB 3.72Å; Y140-A144 HydrophobicContact CG-CB 4.39Å; Y140-A144 VanDerWaalsContact O-CB 3.28Å; Y140-A144 WeakPolarHBondContact O-CB 3.29Å; Y140-A144 PolarHBondContact O-N 3.41Å
141P81.7Confident83.7Confident93 Ų9378.5 Ų78.560%0.60441%0.412SS*.Hα-helixtrans-61.6-29.5179.6-23.434.8000114P137P137-P141 WeakPolarHBondContact O-CD 3.27Å
142A83.6Confident84.1Confident78 Ų7878.1 Ų78.165%0.64542%0.416SS*.Hα-helixtrans-79.9-26176.100000112.6R139 Y140R139-A142 PolarHBondContact O-N 3.44Å; Y140-A142 PolarHBondContact O-N 2.98Å
143I82.8Confident84.5Confident59 Ų5977.1 Ų77.130%0.30341%0.412SS..Hα-helixtrans-87.2-42.9-178.7-62.9165.6000111.2L132 R139 Y140 T145 R148L132-I143 HydrophobicContact CD1-CG2 4.4Å; R139-I143 HydrophobicContact CB-CD1 3.94Å; R139-I143 WeakPolarHBondContact O-CG1 3.22Å; R139-I143 PolarHBondContact O-N 3.25Å; R139-I143 VanDerWaalsContact O-N 3.13Å; Y140-I143 PolarHBondContact O-N 3.4Å; I143-T145 PolarHBondContact O-N 2.89Å; I143-R148 WeakPolarHBondContact O-CD 3.39Å
144A81.8Confident85.2Confident26 Ų2679.4 Ų79.422%0.21543%0.431CS..  trans-77.767-174.800000111.6V66 Y140V66-A144 HydrophobicContact CB-CB 4.4Å; V66-A144 HydrophobicContact CG2-CB 3.93Å; V66-A144 WeakPolarHBondContact CG2-O 3.28Å; Y140-A144 HydrophobicContact CD1-CB 4.27Å; Y140-A144 HydrophobicContact CD2-CB 4.13Å; Y140-A144 HydrophobicContact CE1-CB 3.87Å; Y140-A144 HydrophobicContact CE2-CB 3.72Å; Y140-A144 HydrophobicContact CG-CB 4.39Å; Y140-A144 VanDerWaalsContact O-CB 3.28Å; Y140-A144 WeakPolarHBondContact O-CB 3.29Å; Y140-A144 PolarHBondContact O-N 3.41Å
145T86.5Confident86.1Confident54 Ų5480.6 Ų80.633%0.33145%0.445SS..  trans-91.7145175.664.80000111I143 R147 R148 G149I143-T145 PolarHBondContact O-N 2.89Å; T145-R147 VanDerWaalsContact C-N 3.27Å; T145-R147 PolarHBondContact O-N 3.46Å; T145-R148 PolarHBondContact O-N 3.22Å; T145-R148 VanDerWaalsContact OG1-CG 3.31Å; T145-R148 WeakPolarHBondContact OG1-CG 3.37Å; T145-G149 PolarHBondContact O-N 2.95Å
146G83.6Confident86.9Confident51 Ų5179.9 Ų79.953%0.52644%0.439SS..Hα-helixtrans-58.9-35.6179.500000113.6G149 L150G146-G149 PolarHBondContact O-N 3.36Å; G146-L150 WeakPolarHBondContact O-CB 3.38Å; G146-L150 PolarHBondContact O-N 3.31Å
147R87.5Confident87.7Confident220 Ų22078.2 Ų78.283%0.8343%0.432SS*.Hα-helixtrans-61.7-47.1176.2-69.1-175.2-178.8178.60.4111.9T145 G149 L150 T151T145-R147 VanDerWaalsContact C-N 3.27Å; T145-R147 PolarHBondContact O-N 3.46Å; R147-G149 VanDerWaalsContact C-N 3.34Å; R147-G149 PolarHBondContact O-N 3.35Å; R147-L150 PolarHBondContact O-N 3.5Å; R147-T151 PolarHBondContact O-N 3.34Å; R147-T151 PolarHBondContact O-OG1 3.18Å
148R89.3Confident88.6Confident153 Ų15377.7 Ų77.758%0.57744%0.436SS*.Hα-helixtrans-64.8-39177.2-71.4179.3178.6178.1-2.9111.8I143 T145 T151 A152I143-R148 WeakPolarHBondContact O-CD 3.39Å; T145-R148 PolarHBondContact O-N 3.22Å; T145-R148 VanDerWaalsContact OG1-CG 3.31Å; T145-R148 WeakPolarHBondContact OG1-CG 3.37Å; R148-T151 PolarHBondContact O-N 2.89Å; R148-A152 WeakPolarHBondContact O-CB 3.23Å; R148-A152 PolarHBondContact O-N 3.22Å
149G89.5Confident89.4Confident9 Ų973.3 Ų73.39%0.09342%0.416CS..Hα-helixtrans-59.8-47.3173.200000112.3T145 G146 R147 T151 A152 V153T145-G149 PolarHBondContact O-N 2.95Å; G146-G149 PolarHBondContact O-N 3.36Å; R147-G149 VanDerWaalsContact C-N 3.34Å; R147-G149 PolarHBondContact O-N 3.35Å; G149-T151 PolarHBondContact O-N 3.04Å; G149-A152 WeakPolarHBondContact O-CB 3.34Å; G149-A152 PolarHBondContact O-N 2.91Å; G149-V153 WeakPolarHBondContact O-CG2 3.12Å; G149-V153 PolarHBondContact O-N 3.26Å
150L89.9Confident90.1Very high123 Ų12365 Ų6564%0.64439%0.385SS*.Hα-helixtrans-64-41176.8-175.463.8000112.1G146 R147 A152 V153 A154G146-L150 WeakPolarHBondContact O-CB 3.38Å; G146-L150 PolarHBondContact O-N 3.31Å; R147-L150 PolarHBondContact O-N 3.5Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.89Å; L150-V153 PolarHBondContact O-N 3.02Å; L150-A154 PolarHBondContact O-N 3.49Å
151T91.6Very high90.7Very high98 Ų9865.5 Ų65.560%0.60140%0.396SS*.Hα-helixtrans-61.2-41173.8-57.50000111.6R147 R148 G149 V153 A154 A155R147-T151 PolarHBondContact O-N 3.34Å; R147-T151 PolarHBondContact O-OG1 3.18Å; R148-T151 PolarHBondContact O-N 2.89Å; G149-T151 PolarHBondContact O-N 3.04Å; T151-V153 VanDerWaalsContact C-N 3.34Å; T151-V153 PolarHBondContact O-N 3.16Å; T151-A154 PolarHBondContact O-N 3.29Å; T151-A155 VanDerWaalsContact O-CB 3.31Å; T151-A155 WeakPolarHBondContact O-CB 3.41Å; T151-A155 PolarHBondContact O-N 3.04Å
152A92.6Very high91.3Very high31 Ų3164.1 Ų64.126%0.25639%0.392SS..Hα-helixtrans-63.5-40.1175.900000111.9F70 V125 R148 G149 L150 A155 L156F70-A152 HydrophobicContact CE1-CB 4.37Å; V125-A152 HydrophobicContact CG1-CB 4.48Å; R148-A152 WeakPolarHBondContact O-CB 3.23Å; R148-A152 PolarHBondContact O-N 3.22Å; G149-A152 WeakPolarHBondContact O-CB 3.34Å; G149-A152 PolarHBondContact O-N 2.91Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.89Å; A152-A155 PolarHBondContact O-N 3.08Å; A152-L156 PolarHBondContact O-N 3.2Å
153V94.2Very high91.8Very high24 Ų2461 Ų6115%0.14536%0.364CS..Hα-helixtrans-66-43.5173.9173.30000111.6F70 N73 G149 L150 T151 A155 L156 W157F70-V153 HydrophobicContact CD1-CG2 4Å; F70-V153 HydrophobicContact CE1-CG2 4.05Å; N73-V153 HydrophobicContact CB-CG2 4.31Å; N73-V153 VanDerWaalsContact OD1-CG1 3.22Å; N73-V153 WeakPolarHBondContact OD1-CG1 3.34Å; G149-V153 WeakPolarHBondContact O-CG2 3.12Å; G149-V153 PolarHBondContact O-N 3.26Å; L150-V153 PolarHBondContact O-N 3.02Å; T151-V153 VanDerWaalsContact C-N 3.34Å; T151-V153 PolarHBondContact O-N 3.16Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 2.96Å; V153-L156 HydrophobicContact CB-CD2 4.49Å; V153-L156 HydrophobicContact CG2-CD2 4.36Å; V153-L156 VanDerWaalsContact O-CG 3.31Å; V153-L156 WeakPolarHBondContact O-CG 3.4Å; V153-L156 PolarHBondContact O-N 2.95Å; V153-W157 PolarHBondContact O-N 3.5Å; V153-W157 VanDerWaalsContact O-N 3.13Å
154A95.4Very high92.4Very high64 Ų6458.6 Ų58.653%0.52935%0.353SS..Hα-helixtrans-62.3-41.9175.700000111.5L150 T151 W157 G158L150-A154 PolarHBondContact O-N 3.49Å; T151-A154 PolarHBondContact O-N 3.29Å; A154-W157 PolarHBondContact O-N 3.42Å; A154-G158 PolarHBondContact O-N 3.49Å
155A95.4Very high92.8Very high56 Ų5659.5 Ų59.546%0.46336%0.356SS..Hα-helixtrans-64.7-44178.200000112.3T151 A152 V153 W157 G158 V159T151-A155 VanDerWaalsContact O-CB 3.31Å; T151-A155 WeakPolarHBondContact O-CB 3.41Å; T151-A155 PolarHBondContact O-N 3.04Å; A152-A155 PolarHBondContact O-N 3.08Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 2.96Å; A155-W157 VanDerWaalsContact C-N 3.35Å; A155-W157 PolarHBondContact O-N 3.43Å; A155-G158 PolarHBondContact O-N 3.26Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 3.39Å
156L95.6Very high93Very high8 Ų857.5 Ų57.54%0.04235%0.346CS..Hα-helixtrans-64.6-39.2178.673.284.9000111.8A118 L121 V125 A152 V153 V159 S160A118-L156 HydrophobicContact CB-CD1 4.33Å; L121-L156 HydrophobicContact CB-CB 4.02Å; L121-L156 HydrophobicContact CD1-CB 4.36Å; V125-L156 HydrophobicContact CG2-CD2 4.4Å; A152-L156 PolarHBondContact O-N 3.2Å; V153-L156 HydrophobicContact CB-CD2 4.49Å; V153-L156 HydrophobicContact CG2-CD2 4.36Å; V153-L156 VanDerWaalsContact O-CG 3.31Å; V153-L156 WeakPolarHBondContact O-CG 3.4Å; V153-L156 PolarHBondContact O-N 2.95Å; L156-V159 PolarHBondContact O-N 2.82Å; L156-S160 WeakPolarHBondContact O-CB 3.34Å; L156-S160 PolarHBondContact O-N 2.89Å; L156-S160 PolarHBondContact O-OG 2.73Å
157W97.3Very high93.2Very high68 Ų6856 Ų5626%0.25833%0.326SS..Hα-helixtrans-67.2-39.7175.9-80.3107.4000111.4N73 A77 L80 L114 A118 V153 A154 A155 S160 A161N73-W157 PolarHBondContact OD1-NE1 3.29Å; A77-W157 HydrophobicContact CB-CH2 4.2Å; A77-W157 HydrophobicContact CB-CZ2 4.19Å; L80-W157 HydrophobicContact CD2-CH2 4.17Å; L80-W157 HydrophobicContact CD2-CZ3 4.39Å; L114-W157 HydrophobicContact CD1-CE3 4.35Å; L114-W157 HydrophobicContact CD1-CZ3 4.5Å; L114-W157 HydrophobicContact CD2-CZ3 4.32Å; L114-W157 HydrophobicContact CG-CZ3 4.17Å; A118-W157 HydrophobicContact CB-CD2 4.38Å; A118-W157 HydrophobicContact CB-CE3 4.1Å; A118-W157 HydrophobicContact CB-CH2 4.02Å; A118-W157 HydrophobicContact CB-CZ2 4.29Å; A118-W157 HydrophobicContact CB-CZ3 3.92Å; V153-W157 PolarHBondContact O-N 3.5Å; V153-W157 VanDerWaalsContact O-N 3.13Å; A154-W157 PolarHBondContact O-N 3.42Å; A155-W157 VanDerWaalsContact C-N 3.35Å; A155-W157 PolarHBondContact O-N 3.43Å; W157-S160 PolarHBondContact O-N 2.71Å; W157-A161 WeakPolarHBondContact O-CB 3.32Å; W157-A161 PolarHBondContact O-N 2.67Å
158G97Very high93.2Very high42 Ų4249.8 Ų49.843%0.43331%0.309SS..Hα-helixtrans-61.3-46.2174.200000113A154 A155 A161 A162A154-G158 PolarHBondContact O-N 3.49Å; A155-G158 PolarHBondContact O-N 3.26Å; G158-A161 PolarHBondContact O-N 2.88Å; G158-A162 WeakPolarHBondContact O-CB 3.48Å; G158-A162 PolarHBondContact O-N 2.85Å
159V95.8Very high93.2Very high74 Ų7450.7 Ų50.745%0.44832%0.318SS..Hα-helixtrans-63.9-42.3175.8172.40000111L121 A155 L156 A161 A162 I163L121-V159 HydrophobicContact CD1-CB 4.15Å; L121-V159 HydrophobicContact CD1-CG1 3.85Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 3.39Å; L156-V159 PolarHBondContact O-N 2.82Å; V159-A161 PolarHBondContact O-N 3.1Å; V159-A162 PolarHBondContact O-N 2.96Å; V159-I163 HydrophobicContact CG1-CD1 3.91Å; V159-I163 WeakPolarHBondContact O-CG1 3.25Å; V159-I163 PolarHBondContact O-N 3.46Å; V159-I163 VanDerWaalsContact O-N 3.08Å
160S97Very high93Very high0 Ų052.9 Ų52.90%034%0.341CS..Hα-helixtrans-61.8-44.2178.1-54.30000111.5A118 L156 W157 I163 S164A118-S160 VanDerWaalsContact CA-OG 3.29Å; A118-S160 WeakPolarHBondContact CA-OG 3.39Å; A118-S160 PolarHBondContact N-OG 3.33Å; L156-S160 WeakPolarHBondContact O-CB 3.34Å; L156-S160 PolarHBondContact O-N 2.89Å; L156-S160 PolarHBondContact O-OG 2.73Å; W157-S160 PolarHBondContact O-N 2.71Å; S160-I163 PolarHBondContact O-N 3.47Å; S160-S164 WeakPolarHBondContact O-CB 3.32Å; S160-S164 PolarHBondContact O-N 2.95Å; S160-S164 PolarHBondContact O-OG 3.08Å
161A96.1Very high92.9Very high45 Ų4552.1 Ų52.137%0.37233%0.33SS..Hα-helixtrans-65.7-38.9177.100000112.7L114 W157 G158 V159 I163 S164 V165L114-A161 HydrophobicContact CD1-CB 3.94Å; W157-A161 WeakPolarHBondContact O-CB 3.32Å; W157-A161 PolarHBondContact O-N 2.67Å; G158-A161 PolarHBondContact O-N 2.88Å; V159-A161 PolarHBondContact O-N 3.1Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 3.49Å; A161-S164 WeakPolarHBondContact CA-OG 3.48Å; A161-S164 PolarHBondContact O-N 3.45Å; A161-S164 PolarHBondContact O-OG 3.19Å; A161-V165 WeakPolarHBondContact O-CB 3.42Å; A161-V165 PolarHBondContact O-N 2.92Å; A161-V165 VanDerWaalsContact O-N 3.14Å
162A94.8Very high92.6Very high64 Ų6449.8 Ų49.853%0.52931%0.311SS..Hα-helixtrans-62.7-36.2176.100000112.1G158 V159G158-A162 WeakPolarHBondContact O-CB 3.48Å; G158-A162 PolarHBondContact O-N 2.85Å; V159-A162 PolarHBondContact O-N 2.96Å
163I94Very high92.2Very high11 Ų1151.5 Ų51.56%0.05631%0.314CS..Hα-helixtrans-76.1-37.7177.2-64.5164.7000111.4V113 T117 V159 S160 A161 Y190 F193 S198V113-I163 HydrophobicContact CG1-CG2 4.27Å; T117-I163 HydrophobicContact CG2-CD1 3.92Å; V159-I163 HydrophobicContact CG1-CD1 3.91Å; V159-I163 WeakPolarHBondContact O-CG1 3.25Å; V159-I163 PolarHBondContact O-N 3.46Å; V159-I163 VanDerWaalsContact O-N 3.08Å; S160-I163 PolarHBondContact O-N 3.47Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 3.49Å; I163-Y190 WeakPolarHBondContact O-CE2 3.4Å; I163-Y190 PolarHBondContact O-OH 3.02Å; I163-F193 HydrophobicContact CB-CE1 4.46Å; I163-F193 HydrophobicContact CG1-CE1 4.24Å; I163-F193 HydrophobicContact CG1-CZ 4.31Å; I163-F193 HydrophobicContact CG2-CE1 4.29Å; I163-S198 WeakPolarHBondContact CG2-OG 3.5Å
164S94.5Very high91.6Very high9 Ų956.3 Ų56.36%0.06335%0.345CS..Hα-helixtrans-76.4-22.8-174.970.60000114.7A110 S160 A161 P167A110-S164 VanDerWaalsContact O-CB 3.29Å; A110-S164 WeakPolarHBondContact O-CB 3.24Å; S160-S164 WeakPolarHBondContact O-CB 3.32Å; S160-S164 PolarHBondContact O-N 2.95Å; S160-S164 PolarHBondContact O-OG 3.08Å; A161-S164 WeakPolarHBondContact CA-OG 3.48Å; A161-S164 PolarHBondContact O-N 3.45Å; A161-S164 PolarHBondContact O-OG 3.19Å; S164-P167 WeakPolarHBondContact O-CD 3.28Å
165V91.6Very high90.9Very high46 Ų4657.4 Ų57.428%0.27934%0.342SS..THydrogen-bonded Turntrans-80.3-15.1-173.1780000113.9A161 L168 F169A161-V165 WeakPolarHBondContact O-CB 3.42Å; A161-V165 PolarHBondContact O-N 2.92Å; A161-V165 VanDerWaalsContact O-N 3.14Å; V165-L168 HydrophobicContact CG2-CB 4.27Å; V165-L168 HydrophobicContact CG2-CD1 4.08Å; V165-L168 WeakPolarHBondContact O-CB 3.48Å; V165-L168 PolarHBondContact O-N 2.66Å; V165-F169 HydrophobicContact CB-CD2 4.38Å; V165-F169 HydrophobicContact CB-CE2 4.12Å; V165-F169 HydrophobicContact CG1-CD2 3.97Å; V165-F169 HydrophobicContact CG1-CE2 3.71Å; V165-F169 HydrophobicContact CG2-CD2 3.8Å; V165-F169 HydrophobicContact CG2-CE2 3.32Å; V165-F169 HydrophobicContact CG2-CZ 4.2Å; V165-F169 WeakPolarHBondContact O-CD2 3.39Å; V165-F169 PolarHBondContact O-N 3.32Å
166G89.6Confident90.1Very high11 Ų1157.2 Ų57.211%0.11334%0.336CS..G310 helixtrans-46.9-52.3-176.400000114.8L168 F169 W171G166-L168 PolarHBondContact O-N 3.25Å; G166-F169 PolarHBondContact O-N 3.47Å; G166-F169 VanDerWaalsContact O-N 3.11Å; G166-W171 WeakPolarHBondContact O-CB 3.47Å; G166-W171 PolarHBondContact O-N 3.31Å
167P89Confident89.1Confident19 Ų1966.1 Ų66.112%0.12338%0.378CS..G310 helixtrans-64-27.2-179.8-25.338.6000113.2S164 F169 G170 K172 Y190S164-P167 WeakPolarHBondContact O-CD 3.28Å; P167-F169 VanDerWaalsContact C-N 3.28Å; P167-F169 PolarHBondContact O-N 3.47Å; P167-G170 PolarHBondContact O-N 2.84Å; P167-K172 HydrophobicContact CB-CB 4.13Å; P167-Y190 VanDerWaalsContact CD-CE2 3.46Å; P167-Y190 VanDerWaalsContact CD-CZ 3.41Å; P167-Y190 HydrophobicContact CG-CD1 4.08Å; P167-Y190 HydrophobicContact CG-CD2 4.3Å; P167-Y190 HydrophobicContact CG-CE1 3.56Å; P167-Y190 HydrophobicContact CG-CE2 3.89Å; P167-Y190 HydrophobicContact CG-CG 4.38Å; P167-Y190 VanDerWaalsContact CG-CZ 3.46Å
168L87.9Confident88.3Confident90 Ų9067 Ų6747%0.47139%0.388SS..G310 helixtrans-71.4-23.9178-59.5177.8000112.5N106 A110 V165 G166 G170N106-L168 HydrophobicContact CB-CD2 3.92Å; A110-L168 HydrophobicContact CB-CD1 3.92Å; A110-L168 HydrophobicContact CB-CD2 4.39Å; A110-L168 HydrophobicContact CB-CG 4.18Å; V165-L168 HydrophobicContact CG2-CB 4.27Å; V165-L168 HydrophobicContact CG2-CD1 4.08Å; V165-L168 WeakPolarHBondContact O-CB 3.48Å; V165-L168 PolarHBondContact O-N 2.66Å; G166-L168 PolarHBondContact O-N 3.25Å; L168-G170 VanDerWaalsContact C-N 3.32Å
169F89.3Confident87.5Confident172 Ų17270 Ų7075%0.75439%0.39SS*.G310 helixtrans-91.810.2173.6-69.9-68.9000113.4V165 G166 P167V165-F169 HydrophobicContact CB-CD2 4.38Å; V165-F169 HydrophobicContact CB-CE2 4.12Å; V165-F169 HydrophobicContact CG1-CD2 3.97Å; V165-F169 HydrophobicContact CG1-CE2 3.71Å; V165-F169 HydrophobicContact CG2-CD2 3.8Å; V165-F169 HydrophobicContact CG2-CE2 3.32Å; V165-F169 HydrophobicContact CG2-CZ 4.2Å; V165-F169 WeakPolarHBondContact O-CD2 3.39Å; V165-F169 PolarHBondContact O-N 3.32Å; G166-F169 PolarHBondContact O-N 3.47Å; G166-F169 VanDerWaalsContact O-N 3.11Å; P167-F169 VanDerWaalsContact C-N 3.28Å; P167-F169 PolarHBondContact O-N 3.47Å
170G84.4Confident86.9Confident56 Ų5669.2 Ų69.258%0.57739%0.386SS*.THydrogen-bonded Turntrans89.610.4178.900000114.6P167 L168 K172P167-G170 PolarHBondContact O-N 2.84Å; L168-G170 VanDerWaalsContact C-N 3.32Å; G170-K172 PolarHBondContact O-N 2.98Å
171W87.6Confident86.3Confident107 Ų10772.6 Ų72.641%0.40540%0.402SS..  trans-80.459.7167.9-162.2-1.1000110.4G166 E187 G189 Y190 F193G166-W171 WeakPolarHBondContact O-CB 3.47Å; G166-W171 PolarHBondContact O-N 3.31Å; W171-E187 VanDerWaalsContact CD1-OE2 3.23Å; W171-E187 PolarHBondContact NE1-OE2 2.83Å; W171-G189 VanDerWaalsContact CZ2-C 3.48Å; W171-Y190 HydrophobicContact CD2-CD2 4.14Å; W171-Y190 HydrophobicContact CE3-CD2 4.09Å; W171-Y190 HydrophobicContact CG-CD2 4.45Å; W171-F193 HydrophobicContact CH2-CB 3.88Å; W171-F193 HydrophobicContact CH2-CD1 4.14Å; W171-F193 HydrophobicContact CH2-CD2 4.46Å; W171-F193 AromaticContact CH2-CG 3.91Å; W171-F193 HydrophobicContact CH2-CG 3.91Å; W171-F193 HydrophobicContact CZ2-CB 4.42Å; W171-F193 AromaticContact CZ3-CD1 3.99Å; W171-F193 HydrophobicContact CZ3-CD1 3.99Å; W171-F193 HydrophobicContact CZ3-CE1 4.39Å; W171-F193 HydrophobicContact CZ3-CG 4.19Å
172K86.2Confident85.9Confident48 Ų4871.5 Ų71.521%0.20939%0.391CS..SBendtrans-148.3162.5-17959.9166.6-172.2161.60111N106 P167 G170 D175 T185N106-K172 PolarHBondContact OD1-NZ 3.41Å; P167-K172 HydrophobicContact CB-CB 4.13Å; G170-K172 PolarHBondContact O-N 2.98Å; K172-D175 IonicContact NZ-OD1 2.65Å; K172-D175 PolarHBondContact NZ-OD1 3.18Å; K172-D175 IonicContact NZ-OD2 3.28Å; K172-D175 PolarHBondContact NZ-OD2 2.69Å; K172-T185 WeakPolarHBondContact CA-OG1 3.49Å; K172-T185 HydrophobicContact CB-CG2 4.45Å; K172-T185 WeakPolarHBondContact CB-OG1 3.36Å
173E83.4Confident85.3Confident68 Ų6874.6 Ų74.632%0.31839%0.389SS..PPolyproline II helixtrans-64.1160.5170.9-61.8105.5138.100112.4D175 T185 Q186 E187E173-D175 PolarHBondContact O-N 2.97Å; E173-T185 VanDerWaalsContact OE2-CA 3.29Å; E173-T185 WeakPolarHBondContact OE2-CA 3.49Å; E173-T185 WeakPolarHBondContact OE2-CB 2.92Å; E173-T185 PolarHBondContact OE2-OG1 3.46Å; E173-Q186 VanDerWaalsContact CD-N 3.33Å; E173-Q186 WeakPolarHBondContact OE1-CA 3.38Å; E173-Q186 VanDerWaalsContact OE1-CB 3.27Å; E173-Q186 WeakPolarHBondContact OE1-CB 3.3Å; E173-Q186 PolarHBondContact OE1-N 3.5Å; E173-Q186 PolarHBondContact OE2-N 3.5Å; E173-E187 HydrophobicContact CG-CB 4.19Å; E173-E187 PolarHBondContact OE1-N 3.46Å; E173-E187 PolarHBondContact OE2-N 2.93Å
174P82Confident84.9Confident124 Ų12474.9 Ų74.981%0.80539%0.39SS*.PPolyproline II helixtrans-54.4138.5169.9-21.932.8000110.8
175D79.6Confident84.5Confident87 Ų8775.3 Ų75.347%0.46539%0.392SS..PPolyproline II helixtrans-60.6139.7179-71.1-47.6000110.6K172 E173K172-D175 IonicContact NZ-OD1 2.65Å; K172-D175 PolarHBondContact NZ-OD1 3.18Å; K172-D175 IonicContact NZ-OD2 3.28Å; K172-D175 PolarHBondContact NZ-OD2 2.69Å; E173-D175 PolarHBondContact O-N 2.97Å
176P78.6Confident84.1Confident53 Ų5374.8 Ų74.834%0.34439%0.387SS..PPolyproline II helixtrans-61.8148.917824.8-32.4000111.3R102 D178 E181R102-P176 PolarHBondContact NH2-O 2.88Å; P176-D178 PolarHBondContact O-N 3.46Å; P176-E181 HydrophobicContact CG-CB 4.34Å
177E75.1Confident84Confident194 Ų19476.6 Ų76.691%0.90739%0.392SS*.SBendtrans-60-35.1176.3-67.3-176.2178.100111.3R102R102-E177 PolarHBondContact NH2-O 2.88Å
178D80.6Confident84Confident87 Ų8778.6 Ų78.647%0.46541%0.405SS..  trans-85.6116.6176.7-167.8-13.1000111.7P176 T180 E181P176-D178 PolarHBondContact O-N 3.46Å; D178-T180 PolarHBondContact O-N 3.25Å; D178-T180 VanDerWaalsContact OD1-CB 3.28Å; D178-T180 WeakPolarHBondContact OD1-CB 3.2Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.41Å; D178-T180 PolarHBondContact OD1-N 3.29Å; D178-T180 PolarHBondContact OD1-OG1 2.89Å; D178-T180 PolarHBondContact OD2-OG1 3.39Å; D178-E181 PolarHBondContact O-N 3.32Å
179E79.8Confident84.1Confident105 Ų10575.7 Ų75.749%0.49140%0.398SS..THydrogen-bonded Turntrans-71-12.5176.9-52.3-152.8140.800113.6R102 E181R102-E179 WeakPolarHBondContact CD-OE1 3.19Å; R102-E179 HydrophobicContact CG-CB 4.42Å; R102-E179 HydrophobicContact CG-CG 4.38Å; R102-E179 VanDerWaalsContact CZ-CG 3.48Å; R102-E179 IonicContact CZ-OE1 2.69Å; R102-E179 IonicContact NE-OE1 3.99Å; R102-E179 PolarHBondContact NE-OE1 3.34Å; R102-E179 IonicContact NH1-OE1 3.34Å; R102-E179 PolarHBondContact NH1-OE1 2.91Å; R102-E179 IonicContact NH2-OE1 2.74Å; E179-E181 PolarHBondContact O-N 2.92Å
180T84Confident84.2Confident57 Ų5767.7 Ų67.735%0.3536%0.362SS..THydrogen-bonded Turntrans-82.2-2.4178.574.30000112.9W98 D178W98-T180 VanDerWaalsContact CB-O 3.28Å; W98-T180 WeakPolarHBondContact CB-O 3.5Å; W98-T180 PolarHBondContact N-O 2.86Å; D178-T180 PolarHBondContact O-N 3.25Å; D178-T180 VanDerWaalsContact OD1-CB 3.28Å; D178-T180 WeakPolarHBondContact OD1-CB 3.2Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.41Å; D178-T180 PolarHBondContact OD1-N 3.29Å; D178-T180 PolarHBondContact OD1-OG1 2.89Å; D178-T180 PolarHBondContact OD2-OG1 3.39Å
181E84.2Confident84.4Confident72 Ų7265 Ų6534%0.33634%0.335SS..  trans-105.3120.2175.5-178.9146.3-111.700111.4P176 D178 E179 R183P176-E181 HydrophobicContact CG-CB 4.34Å; D178-E181 PolarHBondContact O-N 3.32Å; E179-E181 PolarHBondContact O-N 2.92Å; E181-R183 HydrophobicContact CG-CG 3.96Å; E181-R183 IonicContact OE1-CZ 3.56Å; E181-R183 IonicContact OE1-NE 3.13Å; E181-R183 PolarHBondContact OE1-NE 2.99Å; E181-R183 IonicContact OE1-NH2 3.64Å; E181-R183 PolarHBondContact OE1-NH2 2.94Å; E181-R183 IonicContact OE2-CZ 2.84Å; E181-R183 IonicContact OE2-NE 2.6Å; E181-R183 IonicContact OE2-NH2 2.91Å
182C87.6Confident84.6Confident22 Ų2263.6 Ų63.615%0.14934%0.335CS..  trans-121.7115.9172.4179.20000109.5W98 C105 W108W98-C182 HydrophobicContact CB-CB 3.76Å; W98-C182 HydrophobicContact CD2-CB 3.43Å; W98-C182 VanDerWaalsContact CD2-CB 3.43Å; W98-C182 HydrophobicContact CE3-CB 3.79Å; W98-C182 HydrophobicContact CG-CB 3.43Å; W98-C182 VanDerWaalsContact CG-CB 3.43Å; C105-C182 VanDerWaalsContact CA-SG 3.55Å; C105-C182 HydrophobicContact CB-CB 3.86Å; C105-C182 WeakPolarHBondContact CB-SG 3.24Å; C105-C182 WeakPolarHBondContact SG-CA 3.31Å; C105-C182 WeakPolarHBondContact SG-CB 3.34Å; C105-C182 CovalentContact SG-SG 2.03Å; C105-C182 PolarHBondContact SG-SG 3.25Å; W108-C182 VanDerWaalsContact CE3-SG 3.56Å
183R83.4Confident84.9Confident128 Ų12865.6 Ų65.648%0.48334%0.344SS..  trans-128.8146.2-179.9-64.5179.6177.9-179.30.8109.7E181E181-R183 HydrophobicContact CG-CG 3.96Å; E181-R183 IonicContact OE1-CZ 3.56Å; E181-R183 IonicContact OE1-NE 3.13Å; E181-R183 PolarHBondContact OE1-NE 2.99Å; E181-R183 IonicContact OE1-NH2 3.64Å; E181-R183 PolarHBondContact OE1-NH2 2.94Å; E181-R183 IonicContact OE2-CZ 2.84Å; E181-R183 IonicContact OE2-NE 2.6Å; E181-R183 IonicContact OE2-NH2 2.91Å
184I85.8Confident85.3Confident18 Ų1862.9 Ų62.99%0.09233%0.332CS..  trans-66.4140.8167.4-60.7172.2000107.7W108 D112 Q186 F324W108-I184 HydrophobicContact CH2-CD1 4.23Å; W108-I184 HydrophobicContact CH2-CG1 3.93Å; W108-I184 HydrophobicContact CZ3-CG1 3.9Å; D112-I184 WeakPolarHBondContact OD2-CD1 3.38Å; I184-Q186 PolarHBondContact O-N 2.98Å; I184-F324 HydrophobicContact CD1-CD2 4.31Å; I184-F324 HydrophobicContact CD1-CE2 3.27Å; I184-F324 HydrophobicContact CD1-CZ 3.5Å
185T84.9Confident85.8Confident17 Ų1757 Ų5710%0.10429%0.294CS..  trans-56.7135-179.8-117.20000111.4K172 E173 E187 Y190K172-T185 WeakPolarHBondContact CA-OG1 3.49Å; K172-T185 HydrophobicContact CB-CG2 4.45Å; K172-T185 WeakPolarHBondContact CB-OG1 3.36Å; E173-T185 VanDerWaalsContact OE2-CA 3.29Å; E173-T185 WeakPolarHBondContact OE2-CA 3.49Å; E173-T185 WeakPolarHBondContact OE2-CB 2.92Å; E173-T185 PolarHBondContact OE2-OG1 3.46Å; T185-E187 HydrophobicContact CG2-CB 4Å; T185-Y190 HydrophobicContact CG2-CD1 3.4Å; T185-Y190 HydrophobicContact CG2-CE1 4.16Å; T185-Y190 HydrophobicContact CG2-CG 4.02Å
186Q83.3Confident86.4Confident35 Ų3556.2 Ų56.216%0.16429%0.29CS..  trans-111.414.9177.6-51.6-167.4-52.800111E173 I184 S308E173-Q186 VanDerWaalsContact CD-N 3.33Å; E173-Q186 WeakPolarHBondContact OE1-CA 3.38Å; E173-Q186 VanDerWaalsContact OE1-CB 3.27Å; E173-Q186 WeakPolarHBondContact OE1-CB 3.3Å; E173-Q186 PolarHBondContact OE1-N 3.5Å; E173-Q186 PolarHBondContact OE2-N 3.5Å; I184-Q186 PolarHBondContact O-N 2.98Å; Q186-S308 VanDerWaalsContact O-CB 3.3Å; Q186-S308 WeakPolarHBondContact O-CB 3.3Å; Q186-S308 PolarHBondContact O-OG 2.82Å
187E88.4Confident87Confident49 Ų4954.7 Ų54.723%0.22928%0.283CS..  trans-60.7125.7179.8-166.7-72.1128.400108.2W171 E173 T185 G189 Y190 A191W171-E187 VanDerWaalsContact CD1-OE2 3.23Å; W171-E187 PolarHBondContact NE1-OE2 2.83Å; E173-E187 HydrophobicContact CG-CB 4.19Å; E173-E187 PolarHBondContact OE1-N 3.46Å; E173-E187 PolarHBondContact OE2-N 2.93Å; T185-E187 HydrophobicContact CG2-CB 4Å; E187-G189 VanDerWaalsContact C-N 3.34Å; E187-G189 VanDerWaalsContact CD-N 3.28Å; E187-G189 PolarHBondContact O-N 2.91Å; E187-G189 PolarHBondContact OE1-N 3.22Å; E187-G189 VanDerWaalsContact OE2-CA 3.23Å; E187-G189 WeakPolarHBondContact OE2-CA 3.21Å; E187-G189 PolarHBondContact OE2-N 3.5Å; E187-Y190 PolarHBondContact O-N 3.39Å; E187-Y190 PolarHBondContact OE2-N 3.31Å; E187-A191 WeakPolarHBondContact O-CB 3.36Å; E187-A191 PolarHBondContact O-N 3.47Å
188P87.3Confident87.7Confident61 Ų6145.7 Ų45.740%0.39624%0.242SC..Hα-helixtrans-60.7-36.9-168.921.8-33.5000114.8L192 S308P188-L192 VanDerWaalsContact O-CB 3.27Å; P188-L192 WeakPolarHBondContact O-CB 3.48Å; P188-L192 PolarHBondContact O-N 3.22Å; P188-L192 VanDerWaalsContact O-N 3.11Å; P188-S308 WeakPolarHBondContact CA-OG 2.97Å; P188-S308 WeakPolarHBondContact CB-OG 3.26Å
189G90.1Very high88.2Confident30 Ų3041.6 Ų41.631%0.30922%0.22SC..Hα-helixtrans-62.5-51.9175.200000112.1W171 E187 F193W171-G189 VanDerWaalsContact CZ2-C 3.48Å; E187-G189 VanDerWaalsContact C-N 3.34Å; E187-G189 VanDerWaalsContact CD-N 3.28Å; E187-G189 PolarHBondContact O-N 2.91Å; E187-G189 PolarHBondContact OE1-N 3.22Å; E187-G189 VanDerWaalsContact OE2-CA 3.23Å; E187-G189 WeakPolarHBondContact OE2-CA 3.21Å; E187-G189 PolarHBondContact OE2-N 3.5Å; G189-F193 VanDerWaalsContact O-CB 3.3Å; G189-F193 WeakPolarHBondContact O-CB 3.47Å; G189-F193 PolarHBondContact O-N 3.41Å
190Y91.3Very high88.9Confident3 Ų340 Ų401%0.01221%0.21CC..Hα-helixtrans-70.2-42.2-178.4-179-97.1000112.2I163 P167 W171 T185 E187 L192 F193 S194I163-Y190 WeakPolarHBondContact O-CE2 3.4Å; I163-Y190 PolarHBondContact O-OH 3.02Å; P167-Y190 VanDerWaalsContact CD-CE2 3.46Å; P167-Y190 VanDerWaalsContact CD-CZ 3.41Å; P167-Y190 HydrophobicContact CG-CD1 4.08Å; P167-Y190 HydrophobicContact CG-CD2 4.3Å; P167-Y190 HydrophobicContact CG-CE1 3.56Å; P167-Y190 HydrophobicContact CG-CE2 3.89Å; P167-Y190 HydrophobicContact CG-CG 4.38Å; P167-Y190 VanDerWaalsContact CG-CZ 3.46Å; W171-Y190 HydrophobicContact CD2-CD2 4.14Å; W171-Y190 HydrophobicContact CE3-CD2 4.09Å; W171-Y190 HydrophobicContact CG-CD2 4.45Å; T185-Y190 HydrophobicContact CG2-CD1 3.4Å; T185-Y190 HydrophobicContact CG2-CE1 4.16Å; T185-Y190 HydrophobicContact CG2-CG 4.02Å; E187-Y190 PolarHBondContact O-N 3.39Å; E187-Y190 PolarHBondContact OE2-N 3.31Å; Y190-L192 VanDerWaalsContact C-N 3.3Å; Y190-L192 PolarHBondContact O-N 3.43Å; Y190-F193 HydrophobicContact CD2-CD1 4.45Å; Y190-F193 PolarHBondContact O-N 2.92Å; Y190-S194 VanDerWaalsContact O-CB 3.25Å; Y190-S194 WeakPolarHBondContact O-CB 3.46Å; Y190-S194 PolarHBondContact O-N 2.85Å; Y190-S194 PolarHBondContact O-OG 2.87Å
191A90.1Very high89.4Confident0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-59.8-41.8178.100000111.1E187 S194 A195 L304E187-A191 WeakPolarHBondContact O-CB 3.36Å; E187-A191 PolarHBondContact O-N 3.47Å; A191-S194 PolarHBondContact O-OG 3.23Å; A191-A195 WeakPolarHBondContact O-CB 3.1Å; A191-A195 PolarHBondContact O-N 3.49Å; A191-L304 HydrophobicContact CB-CG 4.47Å
192L90.9Very high89.8Confident78 Ų7838.7 Ų38.741%0.40820%0.202SC..Hα-helixtrans-69.2-47.4175.4-177.461.8000112P188 Y190 A195 L196P188-L192 VanDerWaalsContact O-CB 3.27Å; P188-L192 WeakPolarHBondContact O-CB 3.48Å; P188-L192 PolarHBondContact O-N 3.22Å; P188-L192 VanDerWaalsContact O-N 3.11Å; Y190-L192 VanDerWaalsContact C-N 3.3Å; Y190-L192 PolarHBondContact O-N 3.43Å; L192-A195 PolarHBondContact O-N 3.37Å; L192-L196 HydrophobicContact CD1-CD1 4Å; L192-L196 HydrophobicContact CD1-CG 4.09Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.23Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.18Å; L192-L196 PolarHBondContact O-N 2.94Å
193F92.4Very high90Very high90 Ų9038.6 Ų38.640%0.39520%0.2SC..Hα-helixtrans-58.5-50.2179.3170.1-102.6000111.9I163 W171 G189 Y190 L196 G197I163-F193 HydrophobicContact CB-CE1 4.46Å; I163-F193 HydrophobicContact CG1-CE1 4.24Å; I163-F193 HydrophobicContact CG1-CZ 4.31Å; I163-F193 HydrophobicContact CG2-CE1 4.29Å; W171-F193 HydrophobicContact CH2-CB 3.88Å; W171-F193 HydrophobicContact CH2-CD1 4.14Å; W171-F193 HydrophobicContact CH2-CD2 4.46Å; W171-F193 AromaticContact CH2-CG 3.91Å; W171-F193 HydrophobicContact CH2-CG 3.91Å; W171-F193 HydrophobicContact CZ2-CB 4.42Å; W171-F193 AromaticContact CZ3-CD1 3.99Å; W171-F193 HydrophobicContact CZ3-CD1 3.99Å; W171-F193 HydrophobicContact CZ3-CE1 4.39Å; W171-F193 HydrophobicContact CZ3-CG 4.19Å; G189-F193 VanDerWaalsContact O-CB 3.3Å; G189-F193 WeakPolarHBondContact O-CB 3.47Å; G189-F193 PolarHBondContact O-N 3.41Å; Y190-F193 HydrophobicContact CD2-CD1 4.45Å; Y190-F193 PolarHBondContact O-N 2.92Å; F193-L196 PolarHBondContact O-N 3.11Å; F193-G197 PolarHBondContact O-N 3.22Å
194S92.3Very high90.5Very high10 Ų1035.2 Ų35.27%0.0720%0.2CC..Hα-helixtrans-65.4-40.9179.361.80000111.8Y190 A191 S198Y190-S194 VanDerWaalsContact O-CB 3.25Å; Y190-S194 WeakPolarHBondContact O-CB 3.46Å; Y190-S194 PolarHBondContact O-N 2.85Å; Y190-S194 PolarHBondContact O-OG 2.87Å; A191-S194 PolarHBondContact O-OG 3.23Å; S194-S198 WeakPolarHBondContact O-CA 3.22Å; S194-S198 WeakPolarHBondContact O-CB 3.46Å; S194-S198 PolarHBondContact O-N 3.38Å; S194-S198 PolarHBondContact O-OG 2.98Å
195A92.3Very high90.8Very high0 Ų037.7 Ų37.70%021%0.212CC..Hα-helixtrans-66.5-39.8176.700000112.7A191 L192 F199 Y200 F301 P305A191-A195 WeakPolarHBondContact O-CB 3.1Å; A191-A195 PolarHBondContact O-N 3.49Å; L192-A195 PolarHBondContact O-N 3.37Å; A195-F199 WeakPolarHBondContact O-CA 3.2Å; A195-F199 WeakPolarHBondContact O-CB 3.49Å; A195-F199 PolarHBondContact O-N 3.33Å; A195-Y200 HydrophobicContact CB-CD2 4.16Å; A195-Y200 HydrophobicContact CB-CE2 3.96Å; A195-Y200 WeakPolarHBondContact O-CD2 3.28Å; A195-Y200 PolarHBondContact O-N 3Å; A195-F301 HydrophobicContact CB-CD1 3.89Å; A195-F301 HydrophobicContact CB-CE1 4.32Å; A195-P305 HydrophobicContact CB-CG 4Å
196L92.8Very high91.1Very high72 Ų7237 Ų3738%0.37721%0.208SC..Iπ-helixtrans-65.2-51176.5-74172.8000111.5L192 F193 Y200 I201L192-L196 HydrophobicContact CD1-CD1 4Å; L192-L196 HydrophobicContact CD1-CG 4.09Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.23Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.18Å; L192-L196 PolarHBondContact O-N 2.94Å; F193-L196 PolarHBondContact O-N 3.11Å; L196-Y200 HydrophobicContact CD2-CD2 4.2Å; L196-Y200 HydrophobicContact CD2-CG 4.5Å; L196-I201 HydrophobicContact CB-CD1 4.45Å; L196-I201 WeakPolarHBondContact O-CB 3.34Å; L196-I201 WeakPolarHBondContact O-CG1 3.32Å; L196-I201 PolarHBondContact O-N 3Å
197G90.3Very high91.4Very high20 Ų2039 Ų3921%0.20622%0.219CC..Iπ-helixtrans-70.1-34.1-177.800000113.5F193 P202F193-G197 PolarHBondContact O-N 3.22Å; G197-P202 WeakPolarHBondContact O-CD 3.41Å; G197-P202 VanDerWaalsContact O-CG 3.27Å; G197-P202 WeakPolarHBondContact O-CG 3.45Å
198S90.3Very high91.4Very high6 Ų638.9 Ų38.94%0.04223%0.227CC..Iπ-helixtrans-99.5-14-174.6-46.60000114.1T117 I120 I163 S194T117-S198 VanDerWaalsContact OG1-CB 3.25Å; T117-S198 WeakPolarHBondContact OG1-CB 3.33Å; T117-S198 PolarHBondContact OG1-OG 2.93Å; I120-S198 WeakPolarHBondContact CD1-O 3.26Å; I120-S198 WeakPolarHBondContact CG2-O 3.25Å; I163-S198 WeakPolarHBondContact CG2-OG 3.5Å; S194-S198 WeakPolarHBondContact O-CA 3.22Å; S194-S198 WeakPolarHBondContact O-CB 3.46Å; S194-S198 PolarHBondContact O-N 3.38Å; S194-S198 PolarHBondContact O-OG 2.98Å
199F91.9Very high91.4Very high0 Ų038 Ų380%022%0.217CC..Iπ-helixtrans-135.4-63.1-178.9-174.4-104.5000113.6I120 A195 I201 P202 L203 F293 W297 L298 F301I120-F199 HydrophobicContact CD1-CB 4.45Å; I120-F199 HydrophobicContact CD1-CD2 3.82Å; I120-F199 HydrophobicContact CD1-CG 4.48Å; A195-F199 WeakPolarHBondContact O-CA 3.2Å; A195-F199 WeakPolarHBondContact O-CB 3.49Å; A195-F199 PolarHBondContact O-N 3.33Å; F199-I201 PolarHBondContact O-N 3.49Å; F199-P202 WeakPolarHBondContact O-CD 3.49Å; F199-L203 HydrophobicContact CD1-CD2 4.46Å; F199-L203 HydrophobicContact CE1-CD2 3.71Å; F199-L203 HydrophobicContact CE2-CD2 4.45Å; F199-L203 HydrophobicContact CZ-CD2 3.71Å; F199-L203 WeakPolarHBondContact O-CB 3.1Å; F199-L203 PolarHBondContact O-N 3.34Å; F199-F293 HydrophobicContact CD2-CE1 4.09Å; F199-F293 HydrophobicContact CD2-CZ 4.26Å; F199-F293 AromaticContact CE2-CE1 3.74Å; F199-F293 HydrophobicContact CE2-CE1 3.74Å; F199-F293 HydrophobicContact CE2-CZ 4.24Å; F199-W297 HydrophobicContact CD2-CB 4.11Å; F199-W297 HydrophobicContact CE2-CB 3.56Å; F199-W297 HydrophobicContact CZ-CB 4.41Å; F199-L298 HydrophobicContact CE1-CD1 3.75Å; F199-L298 HydrophobicContact CZ-CB 3.99Å; F199-L298 HydrophobicContact CZ-CD1 3.96Å; F199-F301 HydrophobicContact CB-CB 4.28Å; F199-F301 HydrophobicContact CB-CD1 3.59Å; F199-F301 HydrophobicContact CB-CD2 3.53Å; F199-F301 HydrophobicContact CB-CE1 3.68Å; F199-F301 HydrophobicContact CB-CE2 3.59Å; F199-F301 HydrophobicContact CB-CG 3.52Å; F199-F301 HydrophobicContact CB-CZ 3.68Å; F199-F301 HydrophobicContact CD1-CB 3.48Å; F199-F301 VanDerWaalsContact CD1-CB 3.48Å; F199-F301 HydrophobicContact CD1-CD1 4.4Å; F199-F301 AromaticContact CD1-CD2 3.79Å; F199-F301 HydrophobicContact CD1-CD2 3.79Å; F199-F301 AromaticContact CD1-CG 3.64Å; F199-F301 HydrophobicContact CD1-CG 3.64Å; F199-F301 HydrophobicContact CD2-CB 4.49Å; F199-F301 AromaticContact CD2-CD2 3.22Å; F199-F301 HydrophobicContact CD2-CD2 3.22Å; F199-F301 AromaticContact CD2-CE2 3.49Å; F199-F301 HydrophobicContact CD2-CE2 3.49Å; F199-F301 VanDerWaalsContact CD2-CE2 3.49Å; F199-F301 AromaticContact CD2-CG 3.95Å; F199-F301 HydrophobicContact CD2-CG 3.95Å; F199-F301 HydrophobicContact CD2-CZ 4.41Å; F199-F301 HydrophobicContact CE1-CB 3.84Å; F199-F301 HydrophobicContact CE1-CD2 4.28Å; F199-F301 HydrophobicContact CE1-CG 4.31Å; F199-F301 AromaticContact CE2-CD2 3.79Å; F199-F301 HydrophobicContact CE2-CD2 3.79Å; F199-F301 HydrophobicContact CE2-CE2 4.33Å; F199-F301 HydrophobicContact CG-CB 3.84Å; F199-F301 HydrophobicContact CG-CD1 4.05Å; F199-F301 AromaticContact CG-CD2 3.21Å; F199-F301 HydrophobicContact CG-CD2 3.21Å; F199-F301 HydrophobicContact CG-CE1 4.44Å; F199-F301 AromaticContact CG-CE2 3.67Å; F199-F301 HydrophobicContact CG-CE2 3.67Å; F199-F301 AromaticContact CG-CG 3.42Å; F199-F301 HydrophobicContact CG-CG 3.42Å; F199-F301 VanDerWaalsContact CG-CG 3.42Å; F199-F301 HydrophobicContact CG-CZ 4.28Å; F199-F301 HydrophobicContact CZ-CB 4.48Å; F199-F301 HydrophobicContact CZ-CD2 4.28Å
200Y93.4Very high91Very high73 Ų7338.2 Ų38.229%0.28621%0.209SC..Iπ-helixtrans-65.8-45-167.6-68.1-70.7000113.6A195 L196 A204 F301A195-Y200 HydrophobicContact CB-CD2 4.16Å; A195-Y200 HydrophobicContact CB-CE2 3.96Å; A195-Y200 WeakPolarHBondContact O-CD2 3.28Å; A195-Y200 PolarHBondContact O-N 3Å; L196-Y200 HydrophobicContact CD2-CD2 4.2Å; L196-Y200 HydrophobicContact CD2-CG 4.5Å; Y200-A204 WeakPolarHBondContact O-CB 3.4Å; Y200-A204 PolarHBondContact O-N 3.39Å; Y200-F301 PolarHBondContact OH-O 2.9Å
201I94.1Very high90.6Very high97 Ų9741.8 Ų41.850%0.49723%0.234SC..Hα-helixtrans-67.3-52.2177.1-64.3167.4000110.7L196 F199 L203 A204 I205L196-I201 HydrophobicContact CB-CD1 4.45Å; L196-I201 WeakPolarHBondContact O-CB 3.34Å; L196-I201 WeakPolarHBondContact O-CG1 3.32Å; L196-I201 PolarHBondContact O-N 3Å; F199-I201 PolarHBondContact O-N 3.49Å; I201-L203 VanDerWaalsContact C-N 3.3Å; I201-L203 PolarHBondContact O-N 3.44Å; I201-A204 PolarHBondContact O-N 3.11Å; I201-I205 HydrophobicContact CG2-CD1 4.08Å; I201-I205 WeakPolarHBondContact O-CG1 3.18Å; I201-I205 PolarHBondContact O-N 3.45Å
202P93.6Very high90.3Very high3 Ų346 Ų462%0.01925%0.254CS..Hα-helixtrans-50.4-45.6172.2-3338.4000114I120 L121 C124 G197 F199 I205 I206I120-P202 HydrophobicContact CD1-CB 3.6Å; I120-P202 HydrophobicContact CD1-CG 4.31Å; I120-P202 HydrophobicContact CG1-CB 3.85Å; L121-P202 HydrophobicContact CD2-CB 4.43Å; L121-P202 HydrophobicContact CD2-CG 3.86Å; C124-P202 VanDerWaalsContact SG-C 3.59Å; C124-P202 WeakPolarHBondContact SG-CA 3.38Å; C124-P202 WeakPolarHBondContact SG-CB 3.28Å; C124-P202 PolarHBondContact SG-O 2.92Å; G197-P202 WeakPolarHBondContact O-CD 3.41Å; G197-P202 VanDerWaalsContact O-CG 3.27Å; G197-P202 WeakPolarHBondContact O-CG 3.45Å; F199-P202 WeakPolarHBondContact O-CD 3.49Å; P202-I205 WeakPolarHBondContact O-CB 3.34Å; P202-I205 PolarHBondContact O-N 3.34Å; P202-I206 VanDerWaalsContact O-CG1 3.31Å; P202-I206 WeakPolarHBondContact O-CG1 3.26Å; P202-I206 PolarHBondContact O-N 3.19Å
203L91.9Very high89.8Confident20 Ų2042.8 Ų42.811%0.10524%0.237CC..Hα-helixtrans-64.1-44.3179.9176.761.4000111.7F199 I201 I205 I206 L207 I294F199-L203 HydrophobicContact CD1-CD2 4.46Å; F199-L203 HydrophobicContact CE1-CD2 3.71Å; F199-L203 HydrophobicContact CE2-CD2 4.45Å; F199-L203 HydrophobicContact CZ-CD2 3.71Å; F199-L203 WeakPolarHBondContact O-CB 3.1Å; F199-L203 PolarHBondContact O-N 3.34Å; I201-L203 VanDerWaalsContact C-N 3.3Å; I201-L203 PolarHBondContact O-N 3.44Å; L203-I205 VanDerWaalsContact C-N 3.29Å; L203-I205 PolarHBondContact O-N 3.28Å; L203-I206 PolarHBondContact O-N 2.93Å; L203-L207 HydrophobicContact CD1-CD1 4.05Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.98Å; L203-L207 HydrophobicContact CG-CG 4.34Å; L203-L207 WeakPolarHBondContact O-CB 3.49Å; L203-L207 WeakPolarHBondContact O-CG 3.4Å; L203-L207 PolarHBondContact O-N 3.28Å; L203-I294 HydrophobicContact CD1-CD1 3.7Å; L203-I294 HydrophobicContact CD1-CG1 3.54Å
204A93.4Very high89.1Confident58 Ų5844.9 Ų44.948%0.47924%0.243SC..Hα-helixtrans-59.7-42176.100000111.5Y200 I201 A208Y200-A204 WeakPolarHBondContact O-CB 3.4Å; Y200-A204 PolarHBondContact O-N 3.39Å; I201-A204 PolarHBondContact O-N 3.11Å; A204-A208 VanDerWaalsContact O-CB 3.26Å; A204-A208 WeakPolarHBondContact O-CB 3.42Å; A204-A208 PolarHBondContact O-N 3.06Å
205I92.4Very high88.5Confident70 Ų7046.8 Ų46.836%0.35925%0.254SS..Hα-helixtrans-62.4-47.5175.3-65.9167.5000110.5I128 I201 P202 L203 A208 M209I128-I205 HydrophobicContact CD1-CG2 4.22Å; I128-I205 HydrophobicContact CG1-CG2 4.47Å; I201-I205 HydrophobicContact CG2-CD1 4.08Å; I201-I205 WeakPolarHBondContact O-CG1 3.18Å; I201-I205 PolarHBondContact O-N 3.45Å; P202-I205 WeakPolarHBondContact O-CB 3.34Å; P202-I205 PolarHBondContact O-N 3.34Å; L203-I205 VanDerWaalsContact C-N 3.29Å; L203-I205 PolarHBondContact O-N 3.28Å; I205-A208 PolarHBondContact O-N 3.48Å; I205-M209 HydrophobicContact CG2-CG 4.36Å; I205-M209 VanDerWaalsContact O-CG 3.3Å; I205-M209 WeakPolarHBondContact O-CG 3.25Å; I205-M209 PolarHBondContact O-N 3.21Å
206I89.8Confident87.7Confident1 Ų148.3 Ų48.31%0.00526%0.264CS..Hα-helixtrans-55.8-58.2177.2-73167.2000109.3I120 L123 C124 P202 L203 A208 M209 Y210 V290I120-I206 HydrophobicContact CG1-CD1 4.4Å; L123-I206 HydrophobicContact CB-CD1 4.15Å; C124-I206 HydrophobicContact CB-CG1 4.24Å; C124-I206 VanDerWaalsContact SG-CD1 3.55Å; C124-I206 VanDerWaalsContact SG-CG1 3.55Å; P202-I206 VanDerWaalsContact O-CG1 3.31Å; P202-I206 WeakPolarHBondContact O-CG1 3.26Å; P202-I206 PolarHBondContact O-N 3.19Å; L203-I206 PolarHBondContact O-N 2.93Å; I206-A208 VanDerWaalsContact C-N 3.29Å; I206-A208 PolarHBondContact O-N 3.5Å; I206-M209 PolarHBondContact O-N 3.37Å; I206-M209 VanDerWaalsContact O-N 3.08Å; I206-Y210 HydrophobicContact CG2-CD2 3.67Å; I206-Y210 HydrophobicContact CG2-CE2 3.75Å; I206-Y210 VanDerWaalsContact O-CD2 3.25Å; I206-Y210 WeakPolarHBondContact O-CD2 3.39Å; I206-Y210 PolarHBondContact O-N 3.44Å; I206-V290 HydrophobicContact CG2-CB 4.21Å; I206-V290 HydrophobicContact CG2-CG1 3.55Å; I206-V290 HydrophobicContact CG2-CG2 3.54Å
207L90.2Very high86.6Confident79 Ų7946.5 Ų46.541%0.41426%0.259SS..Hα-helixtrans-56.7-43-178.1-68.9174.9000112L203 Y210 C211 I294L203-L207 HydrophobicContact CD1-CD1 4.05Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.98Å; L203-L207 HydrophobicContact CG-CG 4.34Å; L203-L207 WeakPolarHBondContact O-CB 3.49Å; L203-L207 WeakPolarHBondContact O-CG 3.4Å; L203-L207 PolarHBondContact O-N 3.28Å; L207-Y210 PolarHBondContact O-N 3.07Å; L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 2.74Å; L207-C211 PolarHBondContact O-SG 3.34Å; L207-I294 HydrophobicContact CD2-CD1 3.95Å
208A89.6Confident85.8Confident46 Ų4652.9 Ų52.938%0.3828%0.277SS..Hα-helixtrans-59.8-49.5175.500000111.6A204 I205 I206 Y210 C211 Q212A204-A208 VanDerWaalsContact O-CB 3.26Å; A204-A208 WeakPolarHBondContact O-CB 3.42Å; A204-A208 PolarHBondContact O-N 3.06Å; I205-A208 PolarHBondContact O-N 3.48Å; I206-A208 VanDerWaalsContact C-N 3.29Å; I206-A208 PolarHBondContact O-N 3.5Å; A208-Y210 VanDerWaalsContact C-N 3.33Å; A208-Y210 PolarHBondContact O-N 3.39Å; A208-C211 PolarHBondContact O-N 2.95Å; A208-Q212 VanDerWaalsContact O-CG 3.26Å; A208-Q212 WeakPolarHBondContact O-CG 3.43Å; A208-Q212 PolarHBondContact O-N 2.89Å
209M86.7Confident85Confident41 Ų4161 Ų6120%0.20231%0.307CS..Hα-helixtrans-61.1-40.4178-68.3-58.29800111.9I128 Y131 I205 I206 Q212 V213I128-M209 HydrophobicContact CG1-CG 3.92Å; I128-M209 HydrophobicContact CG1-SD 4.24Å; Y131-M209 HydrophobicContact CD1-SD 3.8Å; Y131-M209 HydrophobicContact CE1-SD 4.4Å; Y131-M209 HydrophobicContact CG-SD 3.98Å; I205-M209 HydrophobicContact CG2-CG 4.36Å; I205-M209 VanDerWaalsContact O-CG 3.3Å; I205-M209 WeakPolarHBondContact O-CG 3.25Å; I205-M209 PolarHBondContact O-N 3.21Å; I206-M209 PolarHBondContact O-N 3.37Å; I206-M209 VanDerWaalsContact O-N 3.08Å; M209-Q212 PolarHBondContact O-N 3.41Å; M209-V213 WeakPolarHBondContact O-CG2 3.3Å; M209-V213 PolarHBondContact O-N 2.85Å
210Y80.9Confident83.8Confident36 Ų3665.8 Ų65.814%0.14133%0.329CS..Hα-helixtrans-66.3-42.9176.5-87.7-84000113.1S127 I206 L207 A208 Q212 V213 Y214 L286 V290S127-Y210 WeakPolarHBondContact OG-CE2 3.31Å; I206-Y210 HydrophobicContact CG2-CD2 3.67Å; I206-Y210 HydrophobicContact CG2-CE2 3.75Å; I206-Y210 VanDerWaalsContact O-CD2 3.25Å; I206-Y210 WeakPolarHBondContact O-CD2 3.39Å; I206-Y210 PolarHBondContact O-N 3.44Å; L207-Y210 PolarHBondContact O-N 3.07Å; A208-Y210 VanDerWaalsContact C-N 3.33Å; A208-Y210 PolarHBondContact O-N 3.39Å; Y210-Q212 PolarHBondContact O-N 2.98Å; Y210-V213 PolarHBondContact O-N 3.28Å; Y210-Y214 VanDerWaalsContact O-CB 3.3Å; Y210-Y214 WeakPolarHBondContact O-CB 3.42Å; Y210-Y214 PolarHBondContact O-N 3.26Å; Y210-L286 HydrophobicContact CE1-CB 3.57Å; Y210-L286 WeakPolarHBondContact OH-CA 3.45Å; Y210-L286 WeakPolarHBondContact OH-CB 3.16Å; Y210-L286 PolarHBondContact OH-O 3.34Å; Y210-V290 HydrophobicContact CD2-CG2 4Å; Y210-V290 HydrophobicContact CE1-CG2 4.44Å; Y210-V290 HydrophobicContact CE2-CB 4.11Å; Y210-V290 HydrophobicContact CE2-CG1 4.49Å; Y210-V290 HydrophobicContact CE2-CG2 3.22Å; Y210-V290 VanDerWaalsContact CZ-CG2 3.44Å; Y210-V290 WeakPolarHBondContact OH-CG2 3.21Å
211C83.4Confident82.6Confident77 Ų7766.1 Ų66.152%0.5234%0.338SS..Hα-helixtrans-58.2-41.5173.1-73.50000110.7L207 A208 Y214 T215L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 2.74Å; L207-C211 PolarHBondContact O-SG 3.34Å; A208-C211 PolarHBondContact O-N 2.95Å; C211-Y214 PolarHBondContact O-N 2.97Å; C211-T215 WeakPolarHBondContact O-CB 3.15Å; C211-T215 WeakPolarHBondContact O-CG2 3.28Å; C211-T215 PolarHBondContact O-N 2.74Å; C211-T215 PolarHBondContact O-OG1 3.31Å
212Q83.9Confident81.4Confident90 Ų9067.6 Ų67.642%0.42134%0.341SS..Hα-helixtrans-65.5-46.2175.5-64.4-63.8-27.900112Y131 A208 M209 Y210 Y214 T215 V216Y131-Q212 HydrophobicContact CD2-CB 3.82Å; Y131-Q212 HydrophobicContact CE2-CB 3.5Å; Y131-Q212 VanDerWaalsContact CE2-CB 3.5Å; Y131-Q212 HydrophobicContact CE2-CG 4.44Å; A208-Q212 VanDerWaalsContact O-CG 3.26Å; A208-Q212 WeakPolarHBondContact O-CG 3.43Å; A208-Q212 PolarHBondContact O-N 2.89Å; M209-Q212 PolarHBondContact O-N 3.41Å; Y210-Q212 PolarHBondContact O-N 2.98Å; Q212-Y214 PolarHBondContact O-N 2.92Å; Q212-T215 WeakPolarHBondContact CA-OG1 3.38Å; Q212-T215 PolarHBondContact O-N 2.96Å; Q212-T215 PolarHBondContact O-OG1 2.89Å; Q212-V216 WeakPolarHBondContact O-CB 3.45Å; Q212-V216 VanDerWaalsContact O-CG2 3.28Å; Q212-V216 WeakPolarHBondContact O-CG2 3.29Å; Q212-V216 PolarHBondContact O-N 3.35Å
213V80Confident80.2Confident9 Ų969.9 Ų69.96%0.05536%0.358CS..Hα-helixtrans-57.8-47.5175171.30000111.4Y131 V134 M209 Y210 V216 A217 A283Y131-V213 HydrophobicContact CD2-CG2 3.89Å; Y131-V213 HydrophobicContact CG-CG2 4.34Å; V134-V213 HydrophobicContact CG1-CG1 4.43Å; M209-V213 WeakPolarHBondContact O-CG2 3.3Å; M209-V213 PolarHBondContact O-N 2.85Å; Y210-V213 PolarHBondContact O-N 3.28Å; V213-V216 PolarHBondContact O-N 3.08Å; V213-A217 WeakPolarHBondContact O-CB 3.33Å; V213-A217 PolarHBondContact O-N 2.82Å; V213-A283 HydrophobicContact CG1-CB 4.15Å
214Y77.6Confident79.1Confident134 Ų13472.3 Ų72.353%0.52537%0.37SS..Hα-helixtrans-64.9-42.1-178.9178.6-103.5000112Y210 C211 Q212 A217 R218Y210-Y214 VanDerWaalsContact O-CB 3.3Å; Y210-Y214 WeakPolarHBondContact O-CB 3.42Å; Y210-Y214 PolarHBondContact O-N 3.26Å; C211-Y214 PolarHBondContact O-N 2.97Å; Q212-Y214 PolarHBondContact O-N 2.92Å; Y214-A217 PolarHBondContact O-N 3.32Å; Y214-R218 HydrophobicContact CD1-CG 4.27Å; Y214-R218 HydrophobicContact CD2-CG 4.38Å; Y214-R218 HydrophobicContact CE1-CG 3.9Å; Y214-R218 HydrophobicContact CE2-CG 4.01Å; Y214-R218 VanDerWaalsContact O-CB 3.27Å; Y214-R218 WeakPolarHBondContact O-CB 3.39Å; Y214-R218 WeakPolarHBondContact O-CG 3.38Å; Y214-R218 PolarHBondContact O-N 3.47Å; Y214-R218 PolarHBondContact OH-NE 3.07Å; Y214-R218 PolarHBondContact OH-NH2 3.38Å
215T79Confident77.6Confident50 Ų5077.8 Ų77.831%0.30738%0.378SS..Hα-helixtrans-66.4-41.8177.853.30000111.7C211 Q212 R218 R219C211-T215 WeakPolarHBondContact O-CB 3.15Å; C211-T215 WeakPolarHBondContact O-CG2 3.28Å; C211-T215 PolarHBondContact O-N 2.74Å; C211-T215 PolarHBondContact O-OG1 3.31Å; Q212-T215 WeakPolarHBondContact CA-OG1 3.38Å; Q212-T215 PolarHBondContact O-N 2.96Å; Q212-T215 PolarHBondContact O-OG1 2.89Å; T215-R218 PolarHBondContact O-N 3.37Å; T215-R219 WeakPolarHBondContact O-CB 3.34Å; T215-R219 VanDerWaalsContact O-CG 3.22Å; T215-R219 WeakPolarHBondContact O-CG 3.49Å; T215-R219 PolarHBondContact O-N 3.37Å
216V76.1Confident76.3Confident33 Ų3379.7 Ų79.720%0.239%0.386CS..Hα-helixtrans-61.7-50.4174.8172.30000110.5V134 Q212 V213 R218 R219 E220V134-V216 HydrophobicContact CG1-CG1 4.48Å; Q212-V216 WeakPolarHBondContact O-CB 3.45Å; Q212-V216 VanDerWaalsContact O-CG2 3.28Å; Q212-V216 WeakPolarHBondContact O-CG2 3.29Å; Q212-V216 PolarHBondContact O-N 3.35Å; V213-V216 PolarHBondContact O-N 3.08Å; V216-R218 VanDerWaalsContact C-N 3.31Å; V216-R218 PolarHBondContact O-N 3.36Å; V216-R219 PolarHBondContact O-N 2.92Å; V216-E220 WeakPolarHBondContact O-CG 3.38Å; V216-E220 PolarHBondContact O-N 3.22Å
217A69.5Low74.9Confident33 Ų3383.3 Ų83.327%0.27341%0.411SS..Hα-helixtrans-59.3-40.1177.900000112.8V213 Y214 T221V213-A217 WeakPolarHBondContact O-CB 3.33Å; V213-A217 PolarHBondContact O-N 2.82Å; Y214-A217 PolarHBondContact O-N 3.32Å; A217-T221 PolarHBondContact O-N 2.91Å; A217-T221 VanDerWaalsContact O-N 3.11Å; A217-T221 PolarHBondContact O-OG1 3.21Å
218R73.6Confident73.3Confident155 Ų15583 Ų8359%0.58541%0.412SS*.Hα-helixtrans-67.9-39.8177-83.1-84.7-172.8166.6-0.1113Y214 T215 V216 E220 T221 K222Y214-R218 HydrophobicContact CD1-CG 4.27Å; Y214-R218 HydrophobicContact CD2-CG 4.38Å; Y214-R218 HydrophobicContact CE1-CG 3.9Å; Y214-R218 HydrophobicContact CE2-CG 4.01Å; Y214-R218 VanDerWaalsContact O-CB 3.27Å; Y214-R218 WeakPolarHBondContact O-CB 3.39Å; Y214-R218 WeakPolarHBondContact O-CG 3.38Å; Y214-R218 PolarHBondContact O-N 3.47Å; Y214-R218 PolarHBondContact OH-NE 3.07Å; Y214-R218 PolarHBondContact OH-NH2 3.38Å; T215-R218 PolarHBondContact O-N 3.37Å; V216-R218 VanDerWaalsContact C-N 3.31Å; V216-R218 PolarHBondContact O-N 3.36Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-T221 PolarHBondContact O-N 2.9Å; R218-K222 WeakPolarHBondContact O-CB 3.41Å; R218-K222 PolarHBondContact O-N 2.99Å
219R74.4Confident71.6Confident176 Ų17686.9 Ų86.966%0.66442%0.42SS*.Hα-helixtrans-62.1-43178.6-77.5172.1-176.4-173.92.6111.1T215 V216 K222 S223T215-R219 WeakPolarHBondContact O-CB 3.34Å; T215-R219 VanDerWaalsContact O-CG 3.22Å; T215-R219 WeakPolarHBondContact O-CG 3.49Å; T215-R219 PolarHBondContact O-N 3.37Å; V216-R219 PolarHBondContact O-N 2.92Å; R219-K222 PolarHBondContact O-N 3.48Å; R219-S223 PolarHBondContact O-N 2.91Å
220E66Low69.9Low101 Ų10186.2 Ų86.247%0.47242%0.424SS..Hα-helixtrans-70.6-36.9178.1-61.3-57.915500112.6V216 R218 K222 S223 I224V216-E220 WeakPolarHBondContact O-CG 3.38Å; V216-E220 PolarHBondContact O-N 3.22Å; R218-E220 VanDerWaalsContact C-N 3.34Å; E220-K222 VanDerWaalsContact C-N 3.28Å; E220-K222 PolarHBondContact O-N 3.25Å; E220-S223 WeakPolarHBondContact CA-OG 3.31Å; E220-S223 PolarHBondContact O-N 3.47Å; E220-S223 PolarHBondContact O-OG 3.13Å; E220-I224 VanDerWaalsContact O-CG1 3.28Å; E220-I224 WeakPolarHBondContact O-CG1 3.48Å; E220-I224 PolarHBondContact O-N 2.74Å
221T67.8Low68.3Low79 Ų7989.1 Ų89.149%0.48544%0.439SS..Hα-helixtrans-65.6-35.7174.6-51.20000111.4A217 R218 R225A217-T221 PolarHBondContact O-N 2.91Å; A217-T221 VanDerWaalsContact O-N 3.11Å; A217-T221 PolarHBondContact O-OG1 3.21Å; R218-T221 PolarHBondContact O-N 2.9Å; T221-R225 WeakPolarHBondContact O-CB 3.47Å; T221-R225 PolarHBondContact O-N 2.96Å; T221-R225 VanDerWaalsContact O-N 3.1Å
222K68.9Low66.5Low129 Ų12993.3 Ų93.356%0.56145%0.451SS*.Hα-helixtrans-69.7-44.3176.7-172.6177.6170.1-177.20111.3R218 R219 E220 I224 R225 E226R218-K222 WeakPolarHBondContact O-CB 3.41Å; R218-K222 PolarHBondContact O-N 2.99Å; R219-K222 PolarHBondContact O-N 3.48Å; E220-K222 VanDerWaalsContact C-N 3.28Å; E220-K222 PolarHBondContact O-N 3.25Å; K222-I224 PolarHBondContact O-N 3.02Å; K222-R225 PolarHBondContact O-N 3.29Å; K222-E226 WeakPolarHBondContact CE-OE1 3.23Å; K222-E226 HydrophobicContact CG-CG 4.43Å; K222-E226 IonicContact NZ-OE1 3.53Å; K222-E226 WeakPolarHBondContact O-CB 3.31Å; K222-E226 WeakPolarHBondContact O-CG 3.25Å; K222-E226 PolarHBondContact O-N 3.41Å
223S68.9Low64.6Low51 Ų5195 Ų9536%0.35747%0.467SS..Hα-helixtrans-62.8-40.7177.468.40000112.2R219 E220 E226 S227R219-S223 PolarHBondContact O-N 2.91Å; E220-S223 WeakPolarHBondContact CA-OG 3.31Å; E220-S223 PolarHBondContact O-N 3.47Å; E220-S223 PolarHBondContact O-OG 3.13Å; S223-E226 PolarHBondContact O-N 3.41Å; S223-S227 WeakPolarHBondContact O-CB 3.49Å; S223-S227 PolarHBondContact O-N 2.97Å
224I68.1Low62.6Low70 Ų7099.8 Ų99.836%0.35949%0.489SS..Hα-helixtrans-63.7-46.3175.1-67.1167000110.7E220 K222 E226 S227 T228 L273E220-I224 VanDerWaalsContact O-CG1 3.28Å; E220-I224 WeakPolarHBondContact O-CG1 3.48Å; E220-I224 PolarHBondContact O-N 2.74Å; K222-I224 PolarHBondContact O-N 3.02Å; I224-E226 VanDerWaalsContact C-N 3.31Å; I224-E226 PolarHBondContact O-N 3.03Å; I224-S227 PolarHBondContact O-N 3.04Å; I224-T228 PolarHBondContact O-N 3.47Å; I224-T228 PolarHBondContact O-OG1 3.13Å; I224-L273 HydrophobicContact CD1-CD1 4.11Å
225R62.3Low60.8Low173 Ų173102.2 Ų102.265%0.65351%0.507SS*.Hα-helixtrans-65.7-33.9179.1-174.1177.1172.6-165.7-2.7112.5T221 K222 K229T221-R225 WeakPolarHBondContact O-CB 3.47Å; T221-R225 PolarHBondContact O-N 2.96Å; T221-R225 VanDerWaalsContact O-N 3.1Å; K222-R225 PolarHBondContact O-N 3.29Å; R225-K229 WeakPolarHBondContact O-CB 3.42Å; R225-K229 WeakPolarHBondContact O-CG 3.34Å; R225-K229 PolarHBondContact O-N 3.43Å
226E65.4Low58.8Low111 Ų111103 Ų10352%0.51953%0.526SS..Hα-helixtrans-72.2-38.6173.9-74.8173.9172.200111.6K222 S223 I224 K229 G230K222-E226 WeakPolarHBondContact CE-OE1 3.23Å; K222-E226 HydrophobicContact CG-CG 4.43Å; K222-E226 IonicContact NZ-OE1 3.53Å; K222-E226 WeakPolarHBondContact O-CB 3.31Å; K222-E226 WeakPolarHBondContact O-CG 3.25Å; K222-E226 PolarHBondContact O-N 3.41Å; S223-E226 PolarHBondContact O-N 3.41Å; I224-E226 VanDerWaalsContact C-N 3.31Å; I224-E226 PolarHBondContact O-N 3.03Å; E226-K229 PolarHBondContact O-N 2.93Å; E226-G230 PolarHBondContact O-N 3.28Å
227S60.3Low57.2Low76 Ų76104.1 Ų104.153%0.53154%0.544SS..Hα-helixtrans-64.4-40.2170.7-103.90000112.6S223 I224 G230 E231S223-S227 WeakPolarHBondContact O-CB 3.49Å; S223-S227 PolarHBondContact O-N 2.97Å; I224-S227 PolarHBondContact O-N 3.04Å; S227-G230 PolarHBondContact O-N 3.11Å; S227-E231 WeakPolarHBondContact O-CB 3.02Å; S227-E231 WeakPolarHBondContact O-CG 3.48Å; S227-E231 PolarHBondContact O-N 2.97Å
228T57.6Low55.6Low72 Ų72107.6 Ų107.644%0.44256%0.561SS.*Hα-helixtrans-68.5-37.7176.8-53.20000112I224 G230 E232I224-T228 PolarHBondContact O-N 3.47Å; I224-T228 PolarHBondContact O-OG1 3.13Å; T228-G230 VanDerWaalsContact C-N 3.34Å; T228-E232 PolarHBondContact O-N 3.46Å
229K53.3Low53.7Low128 Ų128107 Ų10756%0.55758%0.575SS**Hα-helixtrans-69.8-32.6171.5-81.9-173.6168.1-164.60112.7R225 E226 V233R225-K229 WeakPolarHBondContact O-CB 3.42Å; R225-K229 WeakPolarHBondContact O-CG 3.34Å; R225-K229 PolarHBondContact O-N 3.43Å; E226-K229 PolarHBondContact O-N 2.93Å; K229-V233 WeakPolarHBondContact O-CG2 3.07Å
230G50.6Low51.9Low27 Ų27106.8 Ų106.828%0.27859%0.586SS.*Hα-helixtrans-68.8-44.3174.600000111.7E226 S227 T228 E232 V233 E234E226-G230 PolarHBondContact O-N 3.28Å; S227-G230 PolarHBondContact O-N 3.11Å; T228-G230 VanDerWaalsContact C-N 3.34Å; G230-E232 PolarHBondContact O-N 3.42Å; G230-V233 CarbonylContact O-C 3.57Å; G230-V233 WeakPolarHBondContact O-CA 3.47Å; G230-V233 PolarHBondContact O-N 2.87Å; G230-E234 WeakPolarHBondContact O-CB 3.33Å; G230-E234 PolarHBondContact O-N 3.43Å
231E48.6Very low50.4Low97 Ų97112.7 Ų112.745%0.45360%0.604SS.*Hα-helixtrans-68.2-29.9178.1-79.6-179.215500113.8S227 V233 F268S227-E231 WeakPolarHBondContact O-CB 3.02Å; S227-E231 WeakPolarHBondContact O-CG 3.48Å; S227-E231 PolarHBondContact O-N 2.97Å; E231-V233 PolarHBondContact O-N 2.96Å; E231-F268 VanDerWaalsContact OE1-CZ 3.27Å; E231-F268 WeakPolarHBondContact OE1-CZ 3.26Å; E231-F268 WeakPolarHBondContact OE2-CZ 3.35Å
232E43.9Very low48.8Very low165 Ų165117.6 Ų117.677%0.77162%0.624SS**THydrogen-bonded Turntrans-67.7-20.3168.4-82.8-175.4161.500112.6T228 G230T228-E232 PolarHBondContact O-N 3.46Å; G230-E232 PolarHBondContact O-N 3.42Å
233V43.9Very low47Very low126 Ų126120.2 Ų120.276%0.76464%0.638SS**THydrogen-bonded Turntrans-103-22.7178.9179.20000112.4K229 G230 E231K229-V233 WeakPolarHBondContact O-CG2 3.07Å; G230-V233 CarbonylContact O-C 3.57Å; G230-V233 WeakPolarHBondContact O-CA 3.47Å; G230-V233 PolarHBondContact O-N 2.87Å; E231-V233 PolarHBondContact O-N 2.96Å
234E39.9Very low45.5Very low110 Ų110129.3 Ų129.351%0.51466%0.664SS.*  trans-103.930.4-178.6-94.2-172.4159.400113.9G230 G236G230-E234 WeakPolarHBondContact O-CB 3.33Å; G230-E234 PolarHBondContact O-N 3.43Å; E234-G236 PolarHBondContact O-N 3.34Å
235M38Very low43.7Very low184 Ų184129.2 Ų129.291%0.90668%0.68SS**THydrogen-bonded Turntrans-73.431.5156.2-117.1-84.9-74.600111.7
236G38.7Very low42.5Very low68 Ų68129.4 Ų129.470%0.70169%0.694SS**THydrogen-bonded Turntrans-151.237.8-17500000111.4E234E234-G236 PolarHBondContact O-N 3.34Å
237G41.7Very low41Very low56 Ų56128.6 Ų128.658%0.57771%0.706SS**  trans88.1107160.500000116.4
238V36.5Very low39.6Very low106 Ų106129.5 Ų129.564%0.64272%0.719SS**  -164.6113.3129.1168.30000107.5
239T34.1Very low38.4Very low141 Ų141130.5 Ų130.587%0.86573%0.734SS**  trans-88.1115.9169.344.60000110.4R241T239-R241 PolarHBondContact O-N 2.94Å
240L36.3Very low37.4Very low173 Ų173133.8 Ų133.891%0.90675%0.752SS**  trans-71115.2173-104.8156.9000111.4M242L240-M242 PolarHBondContact O-N 3.32Å
241R32.8Very low36.4Very low225 Ų225137.4 Ų137.485%0.84978%0.779SS**  trans-88.8100.3-179.2-161.4176.5-172.1140.3-0.5109.9T239 H243T239-R241 PolarHBondContact O-N 2.94Å; R241-H243 PolarHBondContact O-N 2.75Å
242M35.8Very low35.5Very low182 Ų182136.6 Ų136.690%0.89780%0.796SS**  trans-67.4119.4167.4-76-166-169.100109.6L240 R244L240-M242 PolarHBondContact O-N 3.32Å; M242-R244 PolarHBondContact O-N 3.18Å
243H30.8Very low34.8Very low184 Ų184138.3 Ų138.385%0.85280%0.801SS**  trans-64.7101.9169.3-94.3-125.4000109.7R241R241-H243 PolarHBondContact O-N 2.75Å
244R37.3Very low34.1Very low242 Ų242140.9 Ų140.991%0.91380%0.804SS**  trans-89.9114.8164.2-167.4172.2173.1156.7-3.1107.3M242M242-R244 PolarHBondContact O-N 3.18Å
245G30.8Very low33.6Very low67 Ų67143.2 Ų143.269%0.69182%0.815SS**  trans-54.1145.7-176.700000113.7A247G245-A247 PolarHBondContact O-N 3.08Å
246N35.6Very low33.2Very low177 Ų177142.2 Ų142.295%0.94781%0.814SS**  trans-42.6121.7176.5-91.40.2000113.3
247A33.7Very low32.7Very low94 Ų94142.6 Ų142.678%0.77782%0.818SS**  trans-134.4112155.600000108.6G245G245-A247 PolarHBondContact O-N 3.08Å
248A32.1Very low32.4Very low96 Ų96149.3 Ų149.379%0.79383%0.834SS**  trans57.1116.1150.300000121.1
249A32.5Very low32Very low93 Ų93153.4 Ų153.477%0.76985%0.846SS**  67.6117.312100000120.9
250Q31.2Very low31.8Very low197 Ų197151.1 Ų151.192%0.92184%0.841SS**  trans39.9117.1137-72.7177.7-9.500119.5
251A29.5Very low31.5Very low103 Ų103146.5 Ų146.585%0.85184%0.836SS**  172.6136.9112.900000112.2
252G29.6Very low31.4Very low79 Ų79141.9 Ų141.981%0.81483%0.833SS**  trans87.1114.713600000120.1
253K30.5Very low31.4Very low202 Ų202142.3 Ų142.388%0.87883%0.832SS**  trans-61141.7156.6-74.6171.7166.4-178.90111.6
254H28.1Very low31.7Very low179 Ų179142.8 Ų142.883%0.82983%0.832SS**  -174.1156.5122.8-116.6-79.2000113.2
255E29.5Very low31.5Very low159 Ų159142.1 Ų142.174%0.74383%0.829SS**  trans-75.7158.8-167.7-65.4162.2141.700116.9
256D29.4Very low32Very low163 Ų163144.4 Ų144.487%0.87283%0.832SS**  trans34.4129.2146.2-64.2-21.3000122.8
257G29.2Very low32.2Very low76 Ų76141.2 Ų141.278%0.78482%0.824SS**  trans178.3105.316300000111.4
258E34.2Very low32.9Very low197 Ų197142.6 Ų142.692%0.92181%0.812SS**  trans-57.4129165.4-77.9175.3123.400110.6
259E28.3Very low33.8Very low193 Ų193141.1 Ų141.190%0.90280%0.795SS**  trans-160.7128.2150.5-116.5175.9-164.500113.8
260A31.1Very low34.5Very low92 Ų92141.9 Ų141.976%0.7679%0.785SS**  trans11.1106.5161.500000119.5T262A260-T262 PolarHBondContact O-N 3.47Å
261G28.8Very low35.5Very low77 Ų77136.9 Ų136.979%0.79477%0.77SS**  trans-64.399.2168.600000112.9H263G261-H263 PolarHBondContact O-N 3.44Å
262T30.7Very low36.4Very low127 Ų127138.4 Ų138.478%0.77976%0.757SS**  trans-72.4113.6161.5-50.40000108.1A260 K264A260-T262 PolarHBondContact O-N 3.47Å; T262-K264 PolarHBondContact O-N 3.5Å
263H35.8Very low37.4Very low191 Ų191139 Ų13988%0.88474%0.741SS**  trans-55.992.1174.5-83.7-82.9000111.4G261 R265G261-H263 PolarHBondContact O-N 3.44Å; H263-R265 PolarHBondContact O-N 2.93Å; H263-R265 VanDerWaalsContact O-N 3.16Å
264K37.1Very low38.4Very low195 Ų195135.1 Ų135.185%0.84873%0.729SS**  trans-76.697.4162-74.4-177.3-179.6174.40107.4T262T262-K264 PolarHBondContact O-N 3.5Å
265R34.5Very low39.6Very low228 Ų228135.1 Ų135.186%0.8672%0.722SS**  trans-45.6132167.2-87.1178.4169.3167.4-3109H263 S267H263-R265 PolarHBondContact O-N 2.93Å; H263-R265 VanDerWaalsContact O-N 3.16Å; R265-S267 PolarHBondContact O-N 2.97Å
266P40.7Very low40.5Very low115 Ų115131.7 Ų131.775%0.74771%0.705SS**  trans-65110.8167.727.8-29.3000106F268P266-F268 VanDerWaalsContact C-N 3.27Å; P266-F268 PolarHBondContact O-N 3.3Å
267S39.6Very low41.4Very low110 Ų110127.5 Ų127.577%0.76969%0.688SS**  trans-62.797.1167.953.20000107.1R265R265-S267 PolarHBondContact O-N 2.97Å
268F49.4Very low42.5Very low122 Ų122126 Ų12654%0.53567%0.673SS.*  trans-42.8136.8153.8-100.1-90.1000107.2E231 P266 L270E231-F268 VanDerWaalsContact OE1-CZ 3.27Å; E231-F268 WeakPolarHBondContact OE1-CZ 3.26Å; E231-F268 WeakPolarHBondContact OE2-CZ 3.35Å; P266-F268 VanDerWaalsContact C-N 3.27Å; P266-F268 PolarHBondContact O-N 3.3Å; F268-L270 PolarHBondContact O-N 3.07Å
269P50.6Low43.5Very low66 Ų66119 Ų11943%0.42964%0.64SS.*  trans-70.977.2175.528.5-31.6000108.7P271 K272 L273P269-P271 VanDerWaalsContact O-N 3.14Å; P269-K272 HydrophobicContact CB-CB 4.28Å; P269-K272 HydrophobicContact CB-CD 4.09Å; P269-K272 HydrophobicContact CB-CG 4.11Å; P269-K272 HydrophobicContact CG-CB 4.43Å; P269-K272 HydrophobicContact CG-CD 3.99Å; P269-K272 HydrophobicContact CG-CG 4.43Å; P269-K272 WeakPolarHBondContact O-CA 3.4Å; P269-K272 WeakPolarHBondContact O-CB 3.44Å; P269-K272 PolarHBondContact O-N 2.91Å; P269-L273 PolarHBondContact O-N 3.31Å
270L47.8Very low44.8Very low109 Ų109115.9 Ų115.957%0.57163%0.626SS**Hα-helixtrans-45.4-34.8168-15575.5000112F268 K272 L273 L274F268-L270 PolarHBondContact O-N 3.07Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 2.9Å; L270-L273 PolarHBondContact O-N 3.37Å; L270-L274 HydrophobicContact CD2-CD1 4.33Å; L270-L274 HydrophobicContact CG-CD1 4.01Å; L270-L274 HydrophobicContact CG-CG 4.48Å; L270-L274 WeakPolarHBondContact O-CB 3.32Å; L270-L274 VanDerWaalsContact O-CG 3.3Å; L270-L274 WeakPolarHBondContact O-CG 3.15Å; L270-L274 PolarHBondContact O-N 3.43Å
271P50.3Low46.2Very low91 Ų91116.4 Ų116.459%0.59161%0.611SS**Hα-helixtrans-64.7-31.4174-21.633.5000114.1P269 R275P269-P271 VanDerWaalsContact O-N 3.14Å; P271-R275 WeakPolarHBondContact O-CB 3.27Å; P271-R275 VanDerWaalsContact O-CG 3.29Å; P271-R275 WeakPolarHBondContact O-CG 2.99Å; P271-R275 PolarHBondContact O-N 2.93Å
272K50.2Low47.6Very low135 Ų135114.5 Ų114.559%0.58759%0.588SS**Hα-helixtrans-71.9-51175.4-72.7-175.6-178.8176.60109.7P269 L270 L274 R275 F276P269-K272 HydrophobicContact CB-CB 4.28Å; P269-K272 HydrophobicContact CB-CD 4.09Å; P269-K272 HydrophobicContact CB-CG 4.11Å; P269-K272 HydrophobicContact CG-CB 4.43Å; P269-K272 HydrophobicContact CG-CD 3.99Å; P269-K272 HydrophobicContact CG-CG 4.43Å; P269-K272 WeakPolarHBondContact O-CA 3.4Å; P269-K272 WeakPolarHBondContact O-CB 3.44Å; P269-K272 PolarHBondContact O-N 2.91Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 2.9Å; K272-L274 VanDerWaalsContact C-N 3.35Å; K272-L274 PolarHBondContact O-N 3.39Å; K272-R275 PolarHBondContact O-N 3.24Å; K272-F276 VanDerWaalsContact C-CD2 3.44Å; K272-F276 HydrophobicContact CB-CD2 4.19Å; K272-F276 HydrophobicContact CB-CE2 3.94Å; K272-F276 WeakPolarHBondContact O-CD2 3.29Å; K272-F276 WeakPolarHBondContact O-CG 3.21Å; K272-F276 PolarHBondContact O-N 3.38Å
273L50.5Low49.1Very low93 Ų93109.7 Ų109.749%0.48756%0.561SS.*Hα-helixtrans-60.8-40.2-178.7-157.978000112.9I224 P269 L270 F276 S277I224-L273 HydrophobicContact CD1-CD1 4.11Å; P269-L273 PolarHBondContact O-N 3.31Å; L270-L273 PolarHBondContact O-N 3.37Å; L273-F276 PolarHBondContact O-N 2.93Å; L273-S277 PolarHBondContact O-N 3.29Å
274L51Low50.6Low120 Ų120109.8 Ų109.863%0.62855%0.553SS**Hα-helixtrans-68.9-36.1176-73.8168.3000113L270 K272L270-L274 HydrophobicContact CD2-CD1 4.33Å; L270-L274 HydrophobicContact CG-CD1 4.01Å; L270-L274 HydrophobicContact CG-CG 4.48Å; L270-L274 WeakPolarHBondContact O-CB 3.32Å; L270-L274 VanDerWaalsContact O-CG 3.3Å; L270-L274 WeakPolarHBondContact O-CG 3.15Å; L270-L274 PolarHBondContact O-N 3.43Å; K272-L274 VanDerWaalsContact C-N 3.35Å; K272-L274 PolarHBondContact O-N 3.39Å
275R52.6Low52Low178 Ų178101.5 Ų101.567%0.67252%0.519SS*.Hα-helixtrans-66.9-41172.2-77.1179.877.2140.72.4111.3P271 K272 S277 G278 E279P271-R275 WeakPolarHBondContact O-CB 3.27Å; P271-R275 VanDerWaalsContact O-CG 3.29Å; P271-R275 WeakPolarHBondContact O-CG 2.99Å; P271-R275 PolarHBondContact O-N 2.93Å; K272-R275 PolarHBondContact O-N 3.24Å; R275-S277 PolarHBondContact O-N 3.13Å; R275-G278 PolarHBondContact O-N 2.99Å; R275-E279 WeakPolarHBondContact O-CG 3.46Å; R275-E279 PolarHBondContact O-N 2.98Å
276F49.5Very low53.6Low87 Ų8791.8 Ų91.838%0.38248%0.484SS..Hα-helixtrans-64.9-38.3178.8-75.4-59.2000113.5K272 L273 G278 E279 E280K272-F276 VanDerWaalsContact C-CD2 3.44Å; K272-F276 HydrophobicContact CB-CD2 4.19Å; K272-F276 HydrophobicContact CB-CE2 3.94Å; K272-F276 WeakPolarHBondContact O-CD2 3.29Å; K272-F276 WeakPolarHBondContact O-CG 3.21Å; K272-F276 PolarHBondContact O-N 3.38Å; L273-F276 PolarHBondContact O-N 2.93Å; F276-G278 VanDerWaalsContact C-N 3.28Å; F276-G278 PolarHBondContact O-N 3.23Å; F276-E279 PolarHBondContact O-N 3.41Å; F276-E279 VanDerWaalsContact O-N 3.13Å; F276-E280 PolarHBondContact O-N 2.92Å
277S47.9Very low55.2Low75 Ų7588 Ų8852%0.52447%0.466SS..Hα-helixtrans-63.2-32.7175.5-179.40000113L273 R275L273-S277 PolarHBondContact O-N 3.29Å; R275-S277 PolarHBondContact O-N 3.13Å
278G51.8Low57Low45 Ų4585.6 Ų85.646%0.46444%0.444SS..Hα-helixtrans-70.2-35.5172.700000113.1R275 F276 A282R275-G278 PolarHBondContact O-N 2.99Å; F276-G278 VanDerWaalsContact C-N 3.28Å; F276-G278 PolarHBondContact O-N 3.23Å; G278-A282 PolarHBondContact O-N 3.17Å; G278-A282 VanDerWaalsContact O-N 3.16Å
279E55.7Low58.3Low49 Ų4980.2 Ų80.223%0.22942%0.421CS..Hα-helixtrans-73.6-37.2-179.2-71.4172.2-177.900112.6R275 F276 K281 A282 A283R275-E279 WeakPolarHBondContact O-CG 3.46Å; R275-E279 PolarHBondContact O-N 2.98Å; F276-E279 PolarHBondContact O-N 3.41Å; F276-E279 VanDerWaalsContact O-N 3.13Å; E279-K281 VanDerWaalsContact C-N 3.31Å; E279-K281 PolarHBondContact O-N 2.96Å; E279-A282 WeakPolarHBondContact O-CB 3.39Å; E279-A282 PolarHBondContact O-N 3.09Å; E279-A283 PolarHBondContact O-N 3.23Å
280E56.3Low59.7Low128 Ų12877.5 Ų77.560%0.59840%0.403SS*.Hα-helixtrans-61.1-41.3172.5-172.5-174.7172.100111.5F276 A282 A283 R284F276-E280 PolarHBondContact O-N 2.92Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.38Å; E280-A283 PolarHBondContact O-N 2.92Å; E280-R284 PolarHBondContact O-N 3.35Å; E280-R284 VanDerWaalsContact O-N 3.1Å
281K59.5Low61.5Low103 Ų10373.6 Ų73.645%0.44839%0.389SS..Hα-helixtrans-64.7-38.1176.3-168.7174.9-177.7175.90111.9E279 R284 T285E279-K281 VanDerWaalsContact C-N 3.31Å; E279-K281 PolarHBondContact O-N 2.96Å; K281-R284 PolarHBondContact O-N 3.09Å; K281-T285 PolarHBondContact O-N 3.07Å; K281-T285 PolarHBondContact O-OG1 3.49Å; K281-T285 VanDerWaalsContact O-OG1 3.08Å
282A58.9Low63.2Low38 Ų3871 Ų7131%0.31437%0.373SS..Hα-helixtrans-66.9-40175.100000112G278 E279 E280 R284 T285 L286G278-A282 PolarHBondContact O-N 3.17Å; G278-A282 VanDerWaalsContact O-N 3.16Å; E279-A282 WeakPolarHBondContact O-CB 3.39Å; E279-A282 PolarHBondContact O-N 3.09Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.38Å; A282-R284 VanDerWaalsContact C-N 3.31Å; A282-R284 PolarHBondContact O-N 3.47Å; A282-T285 WeakPolarHBondContact O-CB 3.27Å; A282-T285 PolarHBondContact O-N 2.85Å; A282-L286 WeakPolarHBondContact O-CB 2.98Å; A282-L286 WeakPolarHBondContact O-CD1 3.39Å; A282-L286 VanDerWaalsContact O-CG 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.35Å; A282-L286 PolarHBondContact O-N 3.27Å; A282-L286 VanDerWaalsContact O-N 3.16Å
283A62.3Low64.9Low25 Ų2564.8 Ų64.821%0.20735%0.346CS..Hα-helixtrans-62.3-36.3175.600000112.7V213 E279 E280 L286 G287V213-A283 HydrophobicContact CG1-CB 4.15Å; E279-A283 PolarHBondContact O-N 3.23Å; E280-A283 PolarHBondContact O-N 2.92Å; A283-L286 PolarHBondContact O-N 3.02Å; A283-G287 PolarHBondContact O-N 2.64Å; A283-G287 VanDerWaalsContact O-N 3.09Å
284R67.6Low66.6Low194 Ų19462.2 Ų62.273%0.73233%0.332SS*.Hα-helixtrans-63.8-45.7174.8-166.9-178-147.8178.37.4112.6E280 K281 A282 L286 G287 I288E280-R284 PolarHBondContact O-N 3.35Å; E280-R284 VanDerWaalsContact O-N 3.1Å; K281-R284 PolarHBondContact O-N 3.09Å; A282-R284 VanDerWaalsContact C-N 3.31Å; A282-R284 PolarHBondContact O-N 3.47Å; R284-L286 VanDerWaalsContact C-N 3.28Å; R284-L286 PolarHBondContact O-N 2.8Å; R284-G287 PolarHBondContact O-N 3.32Å; R284-I288 WeakPolarHBondContact O-CG1 3.43Å; R284-I288 PolarHBondContact O-N 3.29Å
285T66.4Low68.5Low20 Ų2062.5 Ų62.512%0.12333%0.334CS..Hα-helixtrans-56.9-45.2177-56.20000111.6K281 A282 I288 V289 I337 F341K281-T285 PolarHBondContact O-N 3.07Å; K281-T285 PolarHBondContact O-OG1 3.49Å; K281-T285 VanDerWaalsContact O-OG1 3.08Å; A282-T285 WeakPolarHBondContact O-CB 3.27Å; A282-T285 PolarHBondContact O-N 2.85Å; T285-I288 WeakPolarHBondContact O-CB 3.35Å; T285-I288 PolarHBondContact O-N 3.35Å; T285-V289 WeakPolarHBondContact O-CG2 3.41Å; T285-V289 PolarHBondContact O-N 3.48Å; T285-I337 HydrophobicContact CG2-CG2 4.47Å; T285-F341 HydrophobicContact CG2-CB 3.23Å; T285-F341 HydrophobicContact CG2-CG 4Å; T285-F341 WeakPolarHBondContact OG1-CB 3.17Å
286L67.8Low70.3Confident25 Ų2554.3 Ų54.313%0.13130%0.304CS..Hα-helixtrans-63.8-42.9-179.7-75.9170.1000111.9I126 R130 Y210 A282 A283 R284 I288 V289 V290I126-L286 HydrophobicContact CG2-CD2 4.15Å; R130-L286 HydrophobicContact CB-CD1 3.59Å; R130-L286 HydrophobicContact CG-CD1 3.33Å; R130-L286 HydrophobicContact CG-CD2 3.8Å; R130-L286 HydrophobicContact CG-CG 4.2Å; Y210-L286 HydrophobicContact CE1-CB 3.57Å; Y210-L286 WeakPolarHBondContact OH-CA 3.45Å; Y210-L286 WeakPolarHBondContact OH-CB 3.16Å; Y210-L286 PolarHBondContact OH-O 3.34Å; A282-L286 WeakPolarHBondContact O-CB 2.98Å; A282-L286 WeakPolarHBondContact O-CD1 3.39Å; A282-L286 VanDerWaalsContact O-CG 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.35Å; A282-L286 PolarHBondContact O-N 3.27Å; A282-L286 VanDerWaalsContact O-N 3.16Å; A283-L286 PolarHBondContact O-N 3.02Å; R284-L286 VanDerWaalsContact C-N 3.28Å; R284-L286 PolarHBondContact O-N 2.8Å; L286-I288 VanDerWaalsContact C-N 3.25Å; L286-I288 PolarHBondContact O-N 2.93Å; L286-V289 PolarHBondContact O-N 3.42Å; L286-V290 PolarHBondContact O-N 2.91Å
287G73Confident72.2Confident35 Ų3550.7 Ų50.736%0.36129%0.287SS..Hα-helixtrans-60.9-34.1174.800000113.1A283 R284 G291A283-G287 PolarHBondContact O-N 2.64Å; A283-G287 VanDerWaalsContact O-N 3.09Å; R284-G287 PolarHBondContact O-N 3.32Å; G287-G291 PolarHBondContact O-N 3.16Å
288I77.2Confident74.3Confident59 Ų5950 Ų5030%0.30328%0.277SS..Hα-helixtrans-70-44.9175.1-64.9167.9000110.9R284 T285 L286 V290 G291 C292 F341R284-I288 WeakPolarHBondContact O-CG1 3.43Å; R284-I288 PolarHBondContact O-N 3.29Å; T285-I288 WeakPolarHBondContact O-CB 3.35Å; T285-I288 PolarHBondContact O-N 3.35Å; L286-I288 VanDerWaalsContact C-N 3.25Å; L286-I288 PolarHBondContact O-N 2.93Å; I288-V290 VanDerWaalsContact C-N 3.29Å; I288-V290 PolarHBondContact O-N 3.36Å; I288-G291 PolarHBondContact O-N 3.19Å; I288-C292 PolarHBondContact O-N 2.78Å; I288-C292 PolarHBondContact O-SG 3.38Å; I288-C292 VanDerWaalsContact O-SG 3.41Å; I288-F341 HydrophobicContact CD1-CD1 4.1Å; I288-F341 HydrophobicContact CD1-CE1 3.34Å; I288-F341 HydrophobicContact CD1-CE2 4.35Å; I288-F341 HydrophobicContact CD1-CZ 3.49Å; I288-F341 VanDerWaalsContact CD1-CZ 3.49Å; I288-F341 HydrophobicContact CG2-CE2 4.28Å; I288-F341 HydrophobicContact CG2-CZ 4.29Å
289V77.6Confident76.3Confident9 Ų949.7 Ų49.76%0.05527%0.268CS..Hα-helixtrans-54.3-47.8175.5176.20000110.7L123 T285 L286 C292 F293 I337L123-V289 HydrophobicContact CD2-CG1 3.71Å; T285-V289 WeakPolarHBondContact O-CG2 3.41Å; T285-V289 PolarHBondContact O-N 3.48Å; L286-V289 PolarHBondContact O-N 3.42Å; V289-C292 PolarHBondContact O-N 2.89Å; V289-F293 WeakPolarHBondContact O-CB 3.5Å; V289-F293 PolarHBondContact O-N 3.39Å; V289-I337 HydrophobicContact CG2-CB 4.41Å; V289-I337 HydrophobicContact CG2-CD1 4.14Å; V289-I337 HydrophobicContact CG2-CG2 3.42Å; V289-I337 VanDerWaalsContact CG2-CG2 3.42Å
290V80.4Confident77.9Confident9 Ų947.9 Ų47.96%0.05526%0.259CS..Hα-helixtrans-69.2-38.9179.6168.60000112.9I206 Y210 L286 I288 F293 I294I206-V290 HydrophobicContact CG2-CB 4.21Å; I206-V290 HydrophobicContact CG2-CG1 3.55Å; I206-V290 HydrophobicContact CG2-CG2 3.54Å; Y210-V290 HydrophobicContact CD2-CG2 4Å; Y210-V290 HydrophobicContact CE1-CG2 4.44Å; Y210-V290 HydrophobicContact CE2-CB 4.11Å; Y210-V290 HydrophobicContact CE2-CG1 4.49Å; Y210-V290 HydrophobicContact CE2-CG2 3.22Å; Y210-V290 VanDerWaalsContact CZ-CG2 3.44Å; Y210-V290 WeakPolarHBondContact OH-CG2 3.21Å; L286-V290 PolarHBondContact O-N 2.91Å; I288-V290 VanDerWaalsContact C-N 3.29Å; I288-V290 PolarHBondContact O-N 3.36Å; V290-F293 PolarHBondContact O-N 2.9Å; V290-I294 HydrophobicContact CG1-CD1 3.76Å; V290-I294 HydrophobicContact CG1-CG1 4.36Å; V290-I294 VanDerWaalsContact O-CG1 3.28Å; V290-I294 WeakPolarHBondContact O-CG1 3.36Å; V290-I294 PolarHBondContact O-N 3.41Å
291G84.4Confident79.5Confident28 Ų2842.5 Ų42.529%0.28923%0.234SC..Hα-helixtrans-58.9-49.1173.700000111.9G287 I288 F293 I294 L295G287-G291 PolarHBondContact O-N 3.16Å; I288-G291 PolarHBondContact O-N 3.19Å; G291-F293 VanDerWaalsContact C-N 3.33Å; G291-F293 PolarHBondContact O-N 2.9Å; G291-I294 PolarHBondContact O-N 2.85Å; G291-L295 WeakPolarHBondContact O-CB 3.25Å; G291-L295 VanDerWaalsContact O-CG 3.25Å; G291-L295 WeakPolarHBondContact O-CG 3.26Å; G291-L295 PolarHBondContact O-N 2.9Å
292C86.5Confident80.9Confident37 Ų3741.3 Ų41.325%0.2523%0.232CC..Hα-helixtrans-59.1-44.2175.8-710000111.7I288 V289 I294 L295 C296 I333 I337I288-C292 PolarHBondContact O-N 2.78Å; I288-C292 PolarHBondContact O-SG 3.38Å; I288-C292 VanDerWaalsContact O-SG 3.41Å; V289-C292 PolarHBondContact O-N 2.89Å; C292-I294 PolarHBondContact O-N 2.79Å; C292-L295 PolarHBondContact O-N 2.83Å; C292-C296 PolarHBondContact O-N 3.47Å; C292-C296 PolarHBondContact O-SG 2.86Å; C292-I333 HydrophobicContact CB-CG2 4.16Å; C292-I337 HydrophobicContact CB-CD1 4.19Å
293F85.4Confident82.4Confident4 Ų440.4 Ų40.42%0.01822%0.222CC..Hα-helixtrans-57.9-50.1177.2178.1-93.2000112.3I120 L123 F199 V289 V290 G291 L295 C296 W297 N330I120-F293 HydrophobicContact CB-CE1 4.45Å; I120-F293 HydrophobicContact CB-CE2 3.97Å; I120-F293 HydrophobicContact CB-CZ 3.61Å; I120-F293 HydrophobicContact CD1-CE1 3.48Å; I120-F293 VanDerWaalsContact CD1-CE1 3.48Å; I120-F293 HydrophobicContact CD1-CE2 4.44Å; I120-F293 HydrophobicContact CD1-CZ 3.31Å; I120-F293 HydrophobicContact CG1-CE1 3.64Å; I120-F293 HydrophobicContact CG1-CE2 4.02Å; I120-F293 HydrophobicContact CG1-CZ 3.28Å; L123-F293 HydrophobicContact CD1-CB 4.07Å; L123-F293 HydrophobicContact CD1-CD1 4.47Å; L123-F293 HydrophobicContact CD1-CD2 3.26Å; L123-F293 HydrophobicContact CD1-CE2 3.85Å; L123-F293 HydrophobicContact CD1-CG 3.65Å; F199-F293 HydrophobicContact CD2-CE1 4.09Å; F199-F293 HydrophobicContact CD2-CZ 4.26Å; F199-F293 AromaticContact CE2-CE1 3.74Å; F199-F293 HydrophobicContact CE2-CE1 3.74Å; F199-F293 HydrophobicContact CE2-CZ 4.24Å; V289-F293 WeakPolarHBondContact O-CB 3.5Å; V289-F293 PolarHBondContact O-N 3.39Å; V290-F293 PolarHBondContact O-N 2.9Å; G291-F293 VanDerWaalsContact C-N 3.33Å; G291-F293 PolarHBondContact O-N 2.9Å; F293-L295 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 3.36Å; F293-C296 PolarHBondContact O-N 2.88Å; F293-W297 AromaticContact CD2-CD1 3.56Å; F293-W297 HydrophobicContact CE1-CB 4.34Å; F293-W297 HydrophobicContact CE2-CB 4.49Å; F293-W297 AromaticContact CE2-CD1 3.16Å; F293-W297 AromaticContact CE2-CG 3.9Å; F293-W297 HydrophobicContact CE2-CG 3.9Å; F293-W297 AromaticContact CE2-NE1 3.59Å; F293-W297 HydrophobicContact CZ-CB 4.07Å; F293-W297 AromaticContact CZ-CD1 3.58Å; F293-W297 AromaticContact CZ-CG 3.87Å; F293-W297 HydrophobicContact CZ-CG 3.87Å; F293-W297 PolarHBondContact O-N 3.48Å; F293-N330 WeakPolarHBondContact CA-OD1 3.1Å
294I87.8Confident83.6Confident38 Ų3839.7 Ų39.720%0.19522%0.215CC..Hα-helixtrans-61-45.4179.5-67.6167.5000110.4L203 L207 V290 G291 C292 C296 W297 L298L203-I294 HydrophobicContact CD1-CD1 3.7Å; L203-I294 HydrophobicContact CD1-CG1 3.54Å; L207-I294 HydrophobicContact CD2-CD1 3.95Å; V290-I294 HydrophobicContact CG1-CD1 3.76Å; V290-I294 HydrophobicContact CG1-CG1 4.36Å; V290-I294 VanDerWaalsContact O-CG1 3.28Å; V290-I294 WeakPolarHBondContact O-CG1 3.36Å; V290-I294 PolarHBondContact O-N 3.41Å; G291-I294 PolarHBondContact O-N 2.85Å; C292-I294 PolarHBondContact O-N 2.79Å; I294-C296 PolarHBondContact O-N 2.96Å; I294-W297 PolarHBondContact O-N 2.66Å; I294-L298 HydrophobicContact CG2-CB 4.14Å; I294-L298 HydrophobicContact CG2-CD2 4.06Å; I294-L298 WeakPolarHBondContact O-CB 3.29Å; I294-L298 PolarHBondContact O-N 2.84Å
295L89.9Confident84.5Confident126 Ų12631 Ų3166%0.6618%0.184SC*.Hα-helixtrans-62.4-33.6179.6-70.6171.6000112.6G291 C292 F293 P299G291-L295 WeakPolarHBondContact O-CB 3.25Å; G291-L295 VanDerWaalsContact O-CG 3.25Å; G291-L295 WeakPolarHBondContact O-CG 3.26Å; G291-L295 PolarHBondContact O-N 2.9Å; C292-L295 PolarHBondContact O-N 2.83Å; F293-L295 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 3.36Å; L295-P299 WeakPolarHBondContact O-CD 3.33Å
296C90.4Very high85.4Confident6 Ų633.5 Ų33.54%0.04120%0.195CC..Hα-helixtrans-77.2-42.9179.2-64.70000112.5C292 F293 I294 L326 G327 N330 I333C292-C296 PolarHBondContact O-N 3.47Å; C292-C296 PolarHBondContact O-SG 2.86Å; F293-C296 PolarHBondContact O-N 2.88Å; I294-C296 PolarHBondContact O-N 2.96Å; C296-L326 WeakPolarHBondContact CB-O 3.47Å; C296-L326 CarbonylContact O-C 3.4Å; C296-G327 PolarHBondContact O-N 3.28Å; C296-N330 HydrophobicContact CB-CB 3.9Å; C296-I333 VanDerWaalsContact SG-CD1 3.6Å
297W90.3Very high86.2Confident11 Ų1132.7 Ų32.74%0.04219%0.194CC..Hα-helixtrans-99.9-30.2-167.9-79.1102.1000115.1C116 F199 F293 I294 P299 F300 F301 G327 N330C116-W297 HydrophobicContact CB-CH2 3.84Å; C116-W297 HydrophobicContact CB-CZ2 4.16Å; C116-W297 WeakPolarHBondContact SG-CH2 3.26Å; F199-W297 HydrophobicContact CD2-CB 4.11Å; F199-W297 HydrophobicContact CE2-CB 3.56Å; F199-W297 HydrophobicContact CZ-CB 4.41Å; F293-W297 AromaticContact CD2-CD1 3.56Å; F293-W297 HydrophobicContact CE1-CB 4.34Å; F293-W297 HydrophobicContact CE2-CB 4.49Å; F293-W297 AromaticContact CE2-CD1 3.16Å; F293-W297 AromaticContact CE2-CG 3.9Å; F293-W297 HydrophobicContact CE2-CG 3.9Å; F293-W297 AromaticContact CE2-NE1 3.59Å; F293-W297 HydrophobicContact CZ-CB 4.07Å; F293-W297 AromaticContact CZ-CD1 3.58Å; F293-W297 AromaticContact CZ-CG 3.87Å; F293-W297 HydrophobicContact CZ-CG 3.87Å; F293-W297 PolarHBondContact O-N 3.48Å; I294-W297 PolarHBondContact O-N 2.66Å; W297-P299 VanDerWaalsContact C-CD 3.45Å; W297-F300 HydrophobicContact CE3-CD1 4.24Å; W297-F300 HydrophobicContact CZ3-CD1 4.08Å; W297-F300 PolarHBondContact O-N 3.22Å; W297-F301 HydrophobicContact CB-CD2 4.11Å; W297-F301 HydrophobicContact CB-CE2 4.23Å; W297-F301 HydrophobicContact CD2-CE2 4.04Å; W297-F301 AromaticContact CE3-CD2 3.95Å; W297-F301 HydrophobicContact CE3-CD2 3.95Å; W297-F301 AromaticContact CE3-CE2 3.33Å; W297-F301 HydrophobicContact CE3-CE2 3.33Å; W297-F301 HydrophobicContact CE3-CZ 4.17Å; W297-F301 HydrophobicContact CG-CE2 4.44Å; W297-F301 HydrophobicContact CZ3-CE2 4Å; W297-F301 HydrophobicContact CZ3-CZ 4.43Å; W297-F301 WeakPolarHBondContact O-CD2 3.22Å; W297-F301 PolarHBondContact O-N 2.9Å; W297-F301 VanDerWaalsContact O-N 3.13Å; W297-G327 WeakPolarHBondContact CZ2-O 3.48Å; W297-G327 PolarHBondContact NE1-O 3.14Å; W297-N330 PolarHBondContact NE1-ND2 3.41Å
298L91.1Very high86.6Confident60 Ų6031.7 Ų31.731%0.31418%0.181SC..Hα-helixtrans-55.6-43.1-178.3-17865.3000113F199 I294 F300 F301 L302F199-L298 HydrophobicContact CE1-CD1 3.75Å; F199-L298 HydrophobicContact CZ-CB 3.99Å; F199-L298 HydrophobicContact CZ-CD1 3.96Å; I294-L298 HydrophobicContact CG2-CB 4.14Å; I294-L298 HydrophobicContact CG2-CD2 4.06Å; I294-L298 WeakPolarHBondContact O-CB 3.29Å; I294-L298 PolarHBondContact O-N 2.84Å; L298-F300 VanDerWaalsContact C-N 3.31Å; L298-F300 PolarHBondContact O-N 3.45Å; L298-F301 PolarHBondContact O-N 3.13Å; L298-L302 HydrophobicContact CD1-CD1 4.21Å; L298-L302 HydrophobicContact CD1-CG 4.12Å; L298-L302 HydrophobicContact CG-CD1 3.98Å; L298-L302 HydrophobicContact CG-CG 4.33Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.43Å; L298-L302 PolarHBondContact O-N 3.08Å
299P92.9Very high87Confident40 Ų4032.5 Ų32.526%0.2619%0.185SC..Hα-helixtrans-59.4-40.7179.8-26.237.8000113L295 W297 L302 V303 T323 L326L295-P299 WeakPolarHBondContact O-CD 3.33Å; W297-P299 VanDerWaalsContact C-CD 3.45Å; P299-L302 PolarHBondContact O-N 3.25Å; P299-V303 VanDerWaalsContact O-CG2 3.32Å; P299-V303 WeakPolarHBondContact O-CG2 3.46Å; P299-V303 PolarHBondContact O-N 2.9Å; P299-V303 VanDerWaalsContact O-N 3.09Å; P299-T323 HydrophobicContact CB-CG2 3.52Å; P299-L326 HydrophobicContact CB-CD2 4.42Å; P299-L326 HydrophobicContact CG-CD2 3.92Å
300F90.2Very high87.4Confident10 Ų1037.9 Ų37.94%0.04421%0.208CC..Hα-helixtrans-68-47.1179.2177.9-105.5000111.8W297 L298 L302 V303 L304 F320 F324W297-F300 HydrophobicContact CE3-CD1 4.24Å; W297-F300 HydrophobicContact CZ3-CD1 4.08Å; W297-F300 PolarHBondContact O-N 3.22Å; L298-F300 VanDerWaalsContact C-N 3.31Å; L298-F300 PolarHBondContact O-N 3.45Å; F300-L302 PolarHBondContact O-N 3.12Å; F300-V303 PolarHBondContact O-N 3.02Å; F300-V303 VanDerWaalsContact O-N 3.14Å; F300-L304 HydrophobicContact CE1-CD2 4.02Å; F300-L304 HydrophobicContact CE2-CB 4.49Å; F300-L304 HydrophobicContact CZ-CB 4.3Å; F300-L304 HydrophobicContact CZ-CD2 4.03Å; F300-L304 WeakPolarHBondContact O-CB 3.34Å; F300-L304 PolarHBondContact O-N 3.45Å; F300-F320 HydrophobicContact CE2-CE1 4.24Å; F300-F320 AromaticContact CE2-CE2 3.83Å; F300-F320 HydrophobicContact CE2-CE2 3.83Å; F300-F320 AromaticContact CE2-CZ 3.66Å; F300-F320 HydrophobicContact CE2-CZ 3.66Å; F300-F320 HydrophobicContact CZ-CZ 4.27Å; F300-F324 HydrophobicContact CD2-CB 4.16Å; F300-F324 AromaticContact CD2-CD2 3.95Å; F300-F324 HydrophobicContact CD2-CD2 3.95Å; F300-F324 HydrophobicContact CE2-CB 4.25Å; F300-F324 AromaticContact CE2-CD2 3.44Å; F300-F324 HydrophobicContact CE2-CD2 3.44Å; F300-F324 VanDerWaalsContact CE2-CD2 3.44Å; F300-F324 HydrophobicContact CE2-CE2 4.24Å; F300-F324 HydrophobicContact CE2-CG 4.31Å; F300-F324 AromaticContact CZ-CD2 3.77Å; F300-F324 HydrophobicContact CZ-CD2 3.77Å; F300-F324 HydrophobicContact CZ-CE2 4.14Å
301F89.4Confident87.4Confident16 Ų1642.1 Ų42.17%0.0724%0.236CC..Hα-helixtrans-71.3-12.8-179.6-76.8-71.1000114.2A195 F199 Y200 W297 L298 P305A195-F301 HydrophobicContact CB-CD1 3.89Å; A195-F301 HydrophobicContact CB-CE1 4.32Å; F199-F301 HydrophobicContact CB-CB 4.28Å; F199-F301 HydrophobicContact CB-CD1 3.59Å; F199-F301 HydrophobicContact CB-CD2 3.53Å; F199-F301 HydrophobicContact CB-CE1 3.68Å; F199-F301 HydrophobicContact CB-CE2 3.59Å; F199-F301 HydrophobicContact CB-CG 3.52Å; F199-F301 HydrophobicContact CB-CZ 3.68Å; F199-F301 HydrophobicContact CD1-CB 3.48Å; F199-F301 VanDerWaalsContact CD1-CB 3.48Å; F199-F301 HydrophobicContact CD1-CD1 4.4Å; F199-F301 AromaticContact CD1-CD2 3.79Å; F199-F301 HydrophobicContact CD1-CD2 3.79Å; F199-F301 AromaticContact CD1-CG 3.64Å; F199-F301 HydrophobicContact CD1-CG 3.64Å; F199-F301 HydrophobicContact CD2-CB 4.49Å; F199-F301 AromaticContact CD2-CD2 3.22Å; F199-F301 HydrophobicContact CD2-CD2 3.22Å; F199-F301 AromaticContact CD2-CE2 3.49Å; F199-F301 HydrophobicContact CD2-CE2 3.49Å; F199-F301 VanDerWaalsContact CD2-CE2 3.49Å; F199-F301 AromaticContact CD2-CG 3.95Å; F199-F301 HydrophobicContact CD2-CG 3.95Å; F199-F301 HydrophobicContact CD2-CZ 4.41Å; F199-F301 HydrophobicContact CE1-CB 3.84Å; F199-F301 HydrophobicContact CE1-CD2 4.28Å; F199-F301 HydrophobicContact CE1-CG 4.31Å; F199-F301 AromaticContact CE2-CD2 3.79Å; F199-F301 HydrophobicContact CE2-CD2 3.79Å; F199-F301 HydrophobicContact CE2-CE2 4.33Å; F199-F301 HydrophobicContact CG-CB 3.84Å; F199-F301 HydrophobicContact CG-CD1 4.05Å; F199-F301 AromaticContact CG-CD2 3.21Å; F199-F301 HydrophobicContact CG-CD2 3.21Å; F199-F301 HydrophobicContact CG-CE1 4.44Å; F199-F301 AromaticContact CG-CE2 3.67Å; F199-F301 HydrophobicContact CG-CE2 3.67Å; F199-F301 AromaticContact CG-CG 3.42Å; F199-F301 HydrophobicContact CG-CG 3.42Å; F199-F301 VanDerWaalsContact CG-CG 3.42Å; F199-F301 HydrophobicContact CG-CZ 4.28Å; F199-F301 HydrophobicContact CZ-CB 4.48Å; F199-F301 HydrophobicContact CZ-CD2 4.28Å; Y200-F301 PolarHBondContact OH-O 2.9Å; W297-F301 HydrophobicContact CB-CD2 4.11Å; W297-F301 HydrophobicContact CB-CE2 4.23Å; W297-F301 HydrophobicContact CD2-CE2 4.04Å; W297-F301 AromaticContact CE3-CD2 3.95Å; W297-F301 HydrophobicContact CE3-CD2 3.95Å; W297-F301 AromaticContact CE3-CE2 3.33Å; W297-F301 HydrophobicContact CE3-CE2 3.33Å; W297-F301 HydrophobicContact CE3-CZ 4.17Å; W297-F301 HydrophobicContact CG-CE2 4.44Å; W297-F301 HydrophobicContact CZ3-CE2 4Å; W297-F301 HydrophobicContact CZ3-CZ 4.43Å; W297-F301 WeakPolarHBondContact O-CD2 3.22Å; W297-F301 PolarHBondContact O-N 2.9Å; W297-F301 VanDerWaalsContact O-N 3.13Å; L298-F301 PolarHBondContact O-N 3.13Å; F301-P305 WeakPolarHBondContact O-CD 3.37Å; F301-P305 VanDerWaalsContact O-CG 3.26Å; F301-P305 WeakPolarHBondContact O-CG 3.34Å
302L89.6Confident87.3Confident78 Ų7846.8 Ų46.841%0.40826%0.264SS..Hα-helixtrans-81.4-49.6164.7-69.8173.1000111.1L298 P299 F300 L304 I306L298-L302 HydrophobicContact CD1-CD1 4.21Å; L298-L302 HydrophobicContact CD1-CG 4.12Å; L298-L302 HydrophobicContact CG-CD1 3.98Å; L298-L302 HydrophobicContact CG-CG 4.33Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.43Å; L298-L302 PolarHBondContact O-N 3.08Å; P299-L302 PolarHBondContact O-N 3.25Å; F300-L302 PolarHBondContact O-N 3.12Å; L302-L304 PolarHBondContact O-N 3.5Å; L302-I306 HydrophobicContact CB-CD1 4.46Å; L302-I306 VanDerWaalsContact O-CB 3.31Å; L302-I306 WeakPolarHBondContact O-CB 3.47Å; L302-I306 VanDerWaalsContact O-CD1 3.23Å; L302-I306 WeakPolarHBondContact O-CD1 3.32Å; L302-I306 WeakPolarHBondContact O-CG1 3.39Å; L302-I306 PolarHBondContact O-N 3.19Å
303V89.7Confident87.1Confident19 Ų1949 Ų4912%0.11528%0.279CS..Hα-helixtrans-63.9-42.2-175.5165.20000112.5P299 F300 G307 P315 I319 F320 T323P299-V303 VanDerWaalsContact O-CG2 3.32Å; P299-V303 WeakPolarHBondContact O-CG2 3.46Å; P299-V303 PolarHBondContact O-N 2.9Å; P299-V303 VanDerWaalsContact O-N 3.09Å; F300-V303 PolarHBondContact O-N 3.02Å; F300-V303 VanDerWaalsContact O-N 3.14Å; V303-G307 PolarHBondContact O-N 3.25Å; V303-P315 HydrophobicContact CG1-CB 4.22Å; V303-P315 HydrophobicContact CG1-CG 4.01Å; V303-P315 HydrophobicContact CG2-CG 4.38Å; V303-I319 HydrophobicContact CG2-CG2 4.14Å; V303-F320 HydrophobicContact CG1-CB 4.45Å; V303-F320 HydrophobicContact CG1-CD2 3.92Å; V303-T323 HydrophobicContact CG2-CG2 4.24Å
304L87.7Confident87Confident9 Ų954.1 Ų54.15%0.04730%0.301CS..Hα-helixtrans-63.4-55.6-175174.175.8000112.6A191 F300 L302 I306 G307 S308 F320A191-L304 HydrophobicContact CB-CG 4.47Å; F300-L304 HydrophobicContact CE1-CD2 4.02Å; F300-L304 HydrophobicContact CE2-CB 4.49Å; F300-L304 HydrophobicContact CZ-CB 4.3Å; F300-L304 HydrophobicContact CZ-CD2 4.03Å; F300-L304 WeakPolarHBondContact O-CB 3.34Å; F300-L304 PolarHBondContact O-N 3.45Å; L302-L304 PolarHBondContact O-N 3.5Å; L304-I306 PolarHBondContact O-N 3.09Å; L304-G307 PolarHBondContact O-N 2.92Å; L304-S308 VanDerWaalsContact O-CB 3.28Å; L304-S308 WeakPolarHBondContact O-CB 3.02Å; L304-S308 PolarHBondContact O-N 3.33Å; L304-S308 VanDerWaalsContact O-N 3.14Å; L304-F320 HydrophobicContact CD1-CE2 3.96Å; L304-F320 HydrophobicContact CD1-CZ 4.38Å
305P86.1Confident86.8Confident12 Ų1253.7 Ų53.78%0.07830%0.301CS..Hα-helixtrans-67-35.4177.6-20.834.6000113A195 F301 S308 I309A195-P305 HydrophobicContact CB-CG 4Å; F301-P305 WeakPolarHBondContact O-CD 3.37Å; F301-P305 VanDerWaalsContact O-CG 3.26Å; F301-P305 WeakPolarHBondContact O-CG 3.34Å; P305-S308 PolarHBondContact O-N 2.77Å; P305-I309 HydrophobicContact CB-CD1 4.29Å; P305-I309 WeakPolarHBondContact O-CB 3.48Å; P305-I309 VanDerWaalsContact O-CG1 3.28Å; P305-I309 WeakPolarHBondContact O-CG1 3.39Å; P305-I309 PolarHBondContact O-N 2.83Å
306I86.4Confident86.7Confident72 Ų7251.6 Ų51.637%0.36930%0.295SS..Hα-helixtrans-62.5-48.6177.8-70.3170.3000110.5L302 L304 S308 F310L302-I306 HydrophobicContact CB-CD1 4.46Å; L302-I306 VanDerWaalsContact O-CB 3.31Å; L302-I306 WeakPolarHBondContact O-CB 3.47Å; L302-I306 VanDerWaalsContact O-CD1 3.23Å; L302-I306 WeakPolarHBondContact O-CD1 3.32Å; L302-I306 WeakPolarHBondContact O-CG1 3.39Å; L302-I306 PolarHBondContact O-N 3.19Å; L304-I306 PolarHBondContact O-N 3.09Å; I306-S308 PolarHBondContact O-N 3.35Å; I306-F310 WeakPolarHBondContact O-CA 3.44Å; I306-F310 WeakPolarHBondContact O-CB 3.17Å; I306-F310 PolarHBondContact O-N 2.66Å
307G83.2Confident86.4Confident9 Ų956.2 Ų56.29%0.09332%0.316CS..Hα-helixtrans-67-24.1179.400000113.7V303 L304V303-G307 PolarHBondContact O-N 3.25Å; L304-G307 PolarHBondContact O-N 2.92Å
308S83.3Confident86.2Confident14 Ų1460.3 Ų60.310%0.09834%0.342CS..Hα-helixtrans-84.1-44.1178.8177.60000113.1Q186 P188 L304 P305 I306Q186-S308 VanDerWaalsContact O-CB 3.3Å; Q186-S308 WeakPolarHBondContact O-CB 3.3Å; Q186-S308 PolarHBondContact O-OG 2.82Å; P188-S308 WeakPolarHBondContact CA-OG 2.97Å; P188-S308 WeakPolarHBondContact CB-OG 3.26Å; L304-S308 VanDerWaalsContact O-CB 3.28Å; L304-S308 WeakPolarHBondContact O-CB 3.02Å; L304-S308 PolarHBondContact O-N 3.33Å; L304-S308 VanDerWaalsContact O-N 3.14Å; P305-S308 PolarHBondContact O-N 2.77Å; I306-S308 PolarHBondContact O-N 3.35Å
309I85.2Confident86.1Confident76 Ų7661.1 Ų61.139%0.3935%0.346SS..Hα-helixtrans-83.1-34.6-177.3-62.1167.2000111.7P305 P311P305-I309 HydrophobicContact CB-CD1 4.29Å; P305-I309 WeakPolarHBondContact O-CB 3.48Å; P305-I309 VanDerWaalsContact O-CG1 3.28Å; P305-I309 WeakPolarHBondContact O-CG1 3.39Å; P305-I309 PolarHBondContact O-N 2.83Å; I309-P311 VanDerWaalsContact O-CD 3.31Å; I309-P311 WeakPolarHBondContact O-CD 3.42Å
310F86.3Confident85.9Confident122 Ų12261 Ų6154%0.53534%0.342SS..  trans-119.581.2-178-57.9-76.5000110.9I306 S312 C313 K314I306-F310 WeakPolarHBondContact O-CA 3.44Å; I306-F310 WeakPolarHBondContact O-CB 3.17Å; I306-F310 PolarHBondContact O-N 2.66Å; F310-S312 PolarHBondContact O-N 3.05Å; F310-S312 VanDerWaalsContact O-N 3.09Å; F310-C313 HydrophobicContact CB-CB 4.18Å; F310-C313 PolarHBondContact O-N 2.91Å; F310-K314 PolarHBondContact O-N 2.89Å
311P80.4Confident85.8Confident98 Ų9864.1 Ų64.164%0.63636%0.355SS*.G310 helixtrans-54.3-32.5179.1-27.134.4000113.8I309 C313 K314I309-P311 VanDerWaalsContact O-CD 3.31Å; I309-P311 WeakPolarHBondContact O-CD 3.42Å; P311-C313 PolarHBondContact O-N 3.02Å; P311-K314 WeakPolarHBondContact O-CB 3.02Å; P311-K314 PolarHBondContact O-N 2.03Å
312S80.8Confident85.8Confident125 Ų12568.4 Ų68.487%0.87438%0.378SS*.G310 helixtrans-66.3-21.5177.7-47.60000114.2F310F310-S312 PolarHBondContact O-N 3.05Å; F310-S312 VanDerWaalsContact O-N 3.09Å
313C82.6Confident85.9Confident85 Ų8565.2 Ų65.257%0.57436%0.361SS*.G310 helixtrans-110.619.4-179.7-63.50000111.8F310 P311 P315F310-C313 HydrophobicContact CB-CB 4.18Å; F310-C313 PolarHBondContact O-N 2.91Å; P311-C313 PolarHBondContact O-N 3.02Å; C313-P315 WeakPolarHBondContact O-CD 3.28Å; C313-P315 VanDerWaalsContact O-N 3.14Å
314K82.9Confident85.9Confident110 Ų11065.1 Ų65.148%0.47836%0.36SS..PPolyproline II helixtrans-58.8116.6-176.6-173.4169.7-173.8164.40110.4F310 P311F310-K314 PolarHBondContact O-N 2.89Å; P311-K314 WeakPolarHBondContact O-CB 3.02Å; P311-K314 PolarHBondContact O-N 2.03Å
315P84.7Confident86Confident30 Ų3066.9 Ų66.920%0.19537%0.365CS..PPolyproline II helixtrans-61.8149.9178-2638.3000111.1V303 C313 I319V303-P315 HydrophobicContact CG1-CB 4.22Å; V303-P315 HydrophobicContact CG1-CG 4.01Å; V303-P315 HydrophobicContact CG2-CG 4.38Å; C313-P315 WeakPolarHBondContact O-CD 3.28Å; C313-P315 VanDerWaalsContact O-N 3.14Å; P315-I319 HydrophobicContact CB-CB 4.31Å; P315-I319 HydrophobicContact CB-CG2 4.36Å
316P87.8Confident86.3Confident82 Ų8268.8 Ų68.853%0.53238%0.375SS..PPolyproline II helixtrans-53147.1173.8-2532.1000112.3T318 I319 F320P316-T318 PolarHBondContact O-N 2.89Å; P316-T318 VanDerWaalsContact O-N 3.13Å; P316-I319 HydrophobicContact CB-CG1 4.42Å; P316-I319 HydrophobicContact CG-CD1 4.3Å; P316-I319 HydrophobicContact CG-CG1 4.44Å; P316-I319 WeakPolarHBondContact O-CB 3.39Å; P316-I319 PolarHBondContact O-N 2.99Å; P316-F320 PolarHBondContact O-N 3.15Å
317E84.1Confident86.4Confident103 Ų10365.4 Ų65.448%0.48136%0.357SS..Hα-helixtrans-55.8-33.8179.8-167.3-172.3147.900112.3I319 F320 K321E317-I319 VanDerWaalsContact C-N 3.33Å; E317-I319 PolarHBondContact O-N 3.46Å; E317-F320 WeakPolarHBondContact O-CB 3.42Å; E317-F320 PolarHBondContact O-N 3.47Å; E317-K321 WeakPolarHBondContact O-CG 3.37Å; E317-K321 PolarHBondContact O-N 3.34Å; E317-K321 WeakPolarHBondContact OE1-CE 3.02Å; E317-K321 IonicContact OE1-NZ 3.8Å; E317-K321 PolarHBondContact OE1-NZ 3.06Å
318T86.9Confident86.7Confident97 Ų9765 Ų6560%0.59535%0.353SS*.Hα-helixtrans-59.9-40.4174.4-46.30000112.5P316 K321 I322P316-T318 PolarHBondContact O-N 2.89Å; P316-T318 VanDerWaalsContact O-N 3.13Å; T318-K321 PolarHBondContact O-N 3.46Å; T318-I322 HydrophobicContact CG2-CD1 4Å; T318-I322 WeakPolarHBondContact O-CB 3.02Å; T318-I322 VanDerWaalsContact O-CG1 3.23Å; T318-I322 WeakPolarHBondContact O-CG1 3.42Å; T318-I322 PolarHBondContact O-N 3.14Å
319I89.1Confident86.9Confident76 Ų7667.7 Ų67.739%0.3937%0.366SS..Hα-helixtrans-67.1-43.3177.2-60.8-170.1000109.6V303 P315 P316 E317 K321 I322 T323V303-I319 HydrophobicContact CG2-CG2 4.14Å; P315-I319 HydrophobicContact CB-CB 4.31Å; P315-I319 HydrophobicContact CB-CG2 4.36Å; P316-I319 HydrophobicContact CB-CG1 4.42Å; P316-I319 HydrophobicContact CG-CD1 4.3Å; P316-I319 HydrophobicContact CG-CG1 4.44Å; P316-I319 WeakPolarHBondContact O-CB 3.39Å; P316-I319 PolarHBondContact O-N 2.99Å; E317-I319 VanDerWaalsContact C-N 3.33Å; E317-I319 PolarHBondContact O-N 3.46Å; I319-K321 PolarHBondContact O-N 3.43Å; I319-I322 PolarHBondContact O-N 3.16Å; I319-T323 HydrophobicContact CG2-CG2 4.26Å; I319-T323 WeakPolarHBondContact O-CG2 3.42Å; I319-T323 PolarHBondContact O-N 2.98Å; I319-T323 PolarHBondContact O-OG1 3.35Å; I319-T323 VanDerWaalsContact O-OG1 3.12Å
320F88Confident86.9Confident39 Ų3964.2 Ų64.217%0.17135%0.348CS..Hα-helixtrans-57.7-47.2176.1-173-85.4000111.5F300 V303 L304 P316 E317 T323 F324F300-F320 HydrophobicContact CE2-CE1 4.24Å; F300-F320 AromaticContact CE2-CE2 3.83Å; F300-F320 HydrophobicContact CE2-CE2 3.83Å; F300-F320 AromaticContact CE2-CZ 3.66Å; F300-F320 HydrophobicContact CE2-CZ 3.66Å; F300-F320 HydrophobicContact CZ-CZ 4.27Å; V303-F320 HydrophobicContact CG1-CB 4.45Å; V303-F320 HydrophobicContact CG1-CD2 3.92Å; L304-F320 HydrophobicContact CD1-CE2 3.96Å; L304-F320 HydrophobicContact CD1-CZ 4.38Å; P316-F320 PolarHBondContact O-N 3.15Å; E317-F320 WeakPolarHBondContact O-CB 3.42Å; E317-F320 PolarHBondContact O-N 3.47Å; F320-T323 PolarHBondContact O-N 3.34Å; F320-T323 PolarHBondContact O-OG1 3.3Å; F320-T323 VanDerWaalsContact O-OG1 3.08Å; F320-F324 WeakPolarHBondContact O-CB 3.41Å; F320-F324 PolarHBondContact O-N 3.25Å
321K87.6Confident86.9Confident74 Ų7458.5 Ų58.532%0.32232%0.323SS..Hα-helixtrans-61.5-46.3176.7-72.1179.4179.5174.60112E317 T318 I319 T323 F324 W325E317-K321 WeakPolarHBondContact O-CG 3.37Å; E317-K321 PolarHBondContact O-N 3.34Å; E317-K321 WeakPolarHBondContact OE1-CE 3.02Å; E317-K321 IonicContact OE1-NZ 3.8Å; E317-K321 PolarHBondContact OE1-NZ 3.06Å; T318-K321 PolarHBondContact O-N 3.46Å; I319-K321 PolarHBondContact O-N 3.43Å; K321-T323 PolarHBondContact O-N 3.3Å; K321-F324 PolarHBondContact O-N 3.14Å; K321-W325 WeakPolarHBondContact O-CB 3.37Å; K321-W325 PolarHBondContact O-N 3.14Å
322I89.7Confident87Confident107 Ų10754.1 Ų54.155%0.54930%0.295SS..Hα-helixtrans-60.3-47.4179.3-70.8166.8000110.8T318 I319 F324 L326T318-I322 HydrophobicContact CG2-CD1 4Å; T318-I322 WeakPolarHBondContact O-CB 3.02Å; T318-I322 VanDerWaalsContact O-CG1 3.23Å; T318-I322 WeakPolarHBondContact O-CG1 3.42Å; T318-I322 PolarHBondContact O-N 3.14Å; I319-I322 PolarHBondContact O-N 3.16Å; I322-F324 VanDerWaalsContact C-N 3.33Å; I322-F324 PolarHBondContact O-N 3.37Å; I322-L326 WeakPolarHBondContact O-CB 3.44Å; I322-L326 PolarHBondContact O-N 3.06Å
323T91.1Very high87.1Confident11 Ų1150.3 Ų50.37%0.06727%0.265CS..Hα-helixtrans-69-33.6-179.758.60000112.1P299 V303 I319 F320 K321 L326 G327P299-T323 HydrophobicContact CB-CG2 3.52Å; V303-T323 HydrophobicContact CG2-CG2 4.24Å; I319-T323 HydrophobicContact CG2-CG2 4.26Å; I319-T323 WeakPolarHBondContact O-CG2 3.42Å; I319-T323 PolarHBondContact O-N 2.98Å; I319-T323 PolarHBondContact O-OG1 3.35Å; I319-T323 VanDerWaalsContact O-OG1 3.12Å; F320-T323 PolarHBondContact O-N 3.34Å; F320-T323 PolarHBondContact O-OG1 3.3Å; F320-T323 VanDerWaalsContact O-OG1 3.08Å; K321-T323 PolarHBondContact O-N 3.3Å; T323-L326 PolarHBondContact O-N 2.94Å; T323-G327 PolarHBondContact O-N 3.41Å
324F89.9Confident87.1Confident17 Ų1746.3 Ų46.38%0.07524%0.237CC..Hα-helixtrans-64.6-51.5174.8-169.2-111.2000112.2W108 I184 F300 F320 K321 I322 L326 G327 Y328W108-F324 HydrophobicContact CH2-CZ 4.29Å; W108-F324 HydrophobicContact CZ2-CE1 4.38Å; W108-F324 HydrophobicContact CZ2-CZ 4.25Å; I184-F324 HydrophobicContact CD1-CD2 4.31Å; I184-F324 HydrophobicContact CD1-CE2 3.27Å; I184-F324 HydrophobicContact CD1-CZ 3.5Å; F300-F324 HydrophobicContact CD2-CB 4.16Å; F300-F324 AromaticContact CD2-CD2 3.95Å; F300-F324 HydrophobicContact CD2-CD2 3.95Å; F300-F324 HydrophobicContact CE2-CB 4.25Å; F300-F324 AromaticContact CE2-CD2 3.44Å; F300-F324 HydrophobicContact CE2-CD2 3.44Å; F300-F324 VanDerWaalsContact CE2-CD2 3.44Å; F300-F324 HydrophobicContact CE2-CE2 4.24Å; F300-F324 HydrophobicContact CE2-CG 4.31Å; F300-F324 AromaticContact CZ-CD2 3.77Å; F300-F324 HydrophobicContact CZ-CD2 3.77Å; F300-F324 HydrophobicContact CZ-CE2 4.14Å; F320-F324 WeakPolarHBondContact O-CB 3.41Å; F320-F324 PolarHBondContact O-N 3.25Å; K321-F324 PolarHBondContact O-N 3.14Å; I322-F324 VanDerWaalsContact C-N 3.33Å; I322-F324 PolarHBondContact O-N 3.37Å; F324-L326 VanDerWaalsContact C-N 3.29Å; F324-L326 PolarHBondContact O-N 3.27Å; F324-G327 WeakPolarHBondContact O-CA 3.29Å; F324-G327 PolarHBondContact O-N 3.48Å; F324-G327 VanDerWaalsContact O-N 3.07Å; F324-Y328 HydrophobicContact CD1-CD2 4.4Å; F324-Y328 AromaticContact CD1-CE2 3.81Å; F324-Y328 HydrophobicContact CD1-CE2 3.81Å; F324-Y328 HydrophobicContact CE1-CD2 4.3Å; F324-Y328 HydrophobicContact CE1-CE1 4.33Å; F324-Y328 AromaticContact CE1-CE2 3.31Å; F324-Y328 HydrophobicContact CE1-CE2 3.31Å; F324-Y328 AromaticContact CE1-CZ 3.35Å; F324-Y328 WeakPolarHBondContact CE1-OH 3.4Å; F324-Y328 HydrophobicContact CZ-CE1 4.13Å; F324-Y328 AromaticContact CZ-CE2 3.91Å; F324-Y328 HydrophobicContact CZ-CE2 3.91Å; F324-Y328 AromaticContact CZ-CZ 3.41Å; F324-Y328 VanDerWaalsContact CZ-CZ 3.41Å; F324-Y328 WeakPolarHBondContact CZ-OH 3.44Å; F324-Y328 PolarHBondContact O-N 3.48Å
325W90.6Very high87.1Confident45 Ų4541.4 Ų41.417%0.1722%0.217CC..Hα-helixtrans-64.1-33.4176.2-78.4107.9000112.6L39 A90 E93 K321 G327 Y328 L329L39-W325 HydrophobicContact CD1-CH2 4.15Å; L39-W325 HydrophobicContact CD1-CZ2 4.22Å; L39-W325 HydrophobicContact CD2-CD2 4.29Å; L39-W325 HydrophobicContact CD2-CE3 3.79Å; L39-W325 HydrophobicContact CD2-CH2 3.55Å; L39-W325 HydrophobicContact CD2-CZ2 4.04Å; L39-W325 HydrophobicContact CD2-CZ3 3.41Å; L39-W325 VanDerWaalsContact CD2-CZ3 3.41Å; L39-W325 HydrophobicContact CG-CH2 4.46Å; A90-W325 HydrophobicContact CB-CH2 4.04Å; E93-W325 HydrophobicContact CB-CZ2 4.06Å; E93-W325 HydrophobicContact CG-CZ2 4.4Å; K321-W325 WeakPolarHBondContact O-CB 3.37Å; K321-W325 PolarHBondContact O-N 3.14Å; W325-G327 VanDerWaalsContact C-N 3.32Å; W325-G327 PolarHBondContact O-N 3.08Å; W325-Y328 HydrophobicContact CD2-CD2 4.27Å; W325-Y328 AromaticContact CE3-CD2 3.74Å; W325-Y328 HydrophobicContact CE3-CD2 3.74Å; W325-Y328 AromaticContact CZ3-CD2 3.92Å; W325-Y328 HydrophobicContact CZ3-CD2 3.92Å; W325-Y328 WeakPolarHBondContact O-CB 3.46Å; W325-Y328 PolarHBondContact O-N 3.31Å; W325-L329 PolarHBondContact O-N 3.2Å; W325-L329 VanDerWaalsContact O-N 3.11Å
326L90.9Very high86.9Confident53 Ų5344 Ų4428%0.27723%0.228SC..Hα-helixtrans-62.5-38.1172.317960.3000111.8C296 P299 I322 T323 F324 Y328 L329C296-L326 WeakPolarHBondContact CB-O 3.47Å; C296-L326 CarbonylContact O-C 3.4Å; P299-L326 HydrophobicContact CB-CD2 4.42Å; P299-L326 HydrophobicContact CG-CD2 3.92Å; I322-L326 WeakPolarHBondContact O-CB 3.44Å; I322-L326 PolarHBondContact O-N 3.06Å; T323-L326 PolarHBondContact O-N 2.94Å; F324-L326 VanDerWaalsContact C-N 3.29Å; F324-L326 PolarHBondContact O-N 3.27Å; L326-Y328 VanDerWaalsContact C-N 3.33Å; L326-Y328 PolarHBondContact O-N 2.6Å; L326-L329 HydrophobicContact CD1-CD1 3.93Å; L326-L329 WeakPolarHBondContact O-CB 3.23Å; L326-L329 PolarHBondContact O-N 2.69Å
327G89.4Confident86.4Confident0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-59.4-43.4171.400000112C296 W297 T323 F324 W325 L329 N330C296-G327 PolarHBondContact O-N 3.28Å; W297-G327 WeakPolarHBondContact CZ2-O 3.48Å; W297-G327 PolarHBondContact NE1-O 3.14Å; T323-G327 PolarHBondContact O-N 3.41Å; F324-G327 WeakPolarHBondContact O-CA 3.29Å; F324-G327 PolarHBondContact O-N 3.48Å; F324-G327 VanDerWaalsContact O-N 3.07Å; W325-G327 VanDerWaalsContact C-N 3.32Å; W325-G327 PolarHBondContact O-N 3.08Å; G327-L329 VanDerWaalsContact C-N 3.32Å; G327-L329 PolarHBondContact O-N 2.87Å; G327-N330 WeakPolarHBondContact O-CB 3.4Å; G327-N330 PolarHBondContact O-N 3.47Å; G327-N330 VanDerWaalsContact O-N 3.16Å
328Y89.9Confident86Confident0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-62.4-35.3176.7-67.6-22.8000113.8F42 L81 V85 L86 D112 F324 W325 L326 N330 S331F42-Y328 WeakPolarHBondContact CZ-O 3.42Å; L81-Y328 HydrophobicContact CD1-CD1 4.46Å; L81-Y328 HydrophobicContact CD1-CE1 3.99Å; L81-Y328 HydrophobicContact CD2-CD1 4.16Å; L81-Y328 HydrophobicContact CD2-CE1 4.48Å; V85-Y328 VanDerWaalsContact CG1-OH 3.32Å; V85-Y328 WeakPolarHBondContact CG1-OH 3.45Å; L86-Y328 HydrophobicContact CD2-CD1 3.7Å; L86-Y328 HydrophobicContact CD2-CD2 3.16Å; L86-Y328 HydrophobicContact CD2-CE1 3.97Å; L86-Y328 HydrophobicContact CD2-CE2 3.45Å; L86-Y328 VanDerWaalsContact CD2-CE2 3.45Å; L86-Y328 HydrophobicContact CD2-CG 3.26Å; D112-Y328 WeakPolarHBondContact OD1-CE1 3.49Å; D112-Y328 PolarHBondContact OD1-OH 3.01Å; F324-Y328 HydrophobicContact CD1-CD2 4.4Å; F324-Y328 AromaticContact CD1-CE2 3.81Å; F324-Y328 HydrophobicContact CD1-CE2 3.81Å; F324-Y328 HydrophobicContact CE1-CD2 4.3Å; F324-Y328 HydrophobicContact CE1-CE1 4.33Å; F324-Y328 AromaticContact CE1-CE2 3.31Å; F324-Y328 HydrophobicContact CE1-CE2 3.31Å; F324-Y328 AromaticContact CE1-CZ 3.35Å; F324-Y328 WeakPolarHBondContact CE1-OH 3.4Å; F324-Y328 HydrophobicContact CZ-CE1 4.13Å; F324-Y328 AromaticContact CZ-CE2 3.91Å; F324-Y328 HydrophobicContact CZ-CE2 3.91Å; F324-Y328 AromaticContact CZ-CZ 3.41Å; F324-Y328 VanDerWaalsContact CZ-CZ 3.41Å; F324-Y328 WeakPolarHBondContact CZ-OH 3.44Å; F324-Y328 PolarHBondContact O-N 3.48Å; W325-Y328 HydrophobicContact CD2-CD2 4.27Å; W325-Y328 AromaticContact CE3-CD2 3.74Å; W325-Y328 HydrophobicContact CE3-CD2 3.74Å; W325-Y328 AromaticContact CZ3-CD2 3.92Å; W325-Y328 HydrophobicContact CZ3-CD2 3.92Å; W325-Y328 WeakPolarHBondContact O-CB 3.46Å; W325-Y328 PolarHBondContact O-N 3.31Å; L326-Y328 VanDerWaalsContact C-N 3.33Å; L326-Y328 PolarHBondContact O-N 2.6Å; Y328-N330 PolarHBondContact O-N 3.42Å; Y328-S331 PolarHBondContact O-N 2.74Å; Y328-S331 PolarHBondContact O-OG 3.14Å
329L86.5Confident85.3Confident72 Ų7232.7 Ų32.738%0.37716%0.162SC..Hα-helixtrans-52.3-29.1175.4-66.3-178000112.7F42 W325 L326 G327 S331 C332 I333F42-L329 HydrophobicContact CD2-CD2 3.67Å; F42-L329 HydrophobicContact CE2-CB 4.39Å; F42-L329 HydrophobicContact CE2-CD2 3.14Å; F42-L329 HydrophobicContact CE2-CG 4.24Å; F42-L329 HydrophobicContact CZ-CB 4.48Å; F42-L329 HydrophobicContact CZ-CD2 3.68Å; F42-L329 HydrophobicContact CZ-CG 4.43Å; W325-L329 PolarHBondContact O-N 3.2Å; W325-L329 VanDerWaalsContact O-N 3.11Å; L326-L329 HydrophobicContact CD1-CD1 3.93Å; L326-L329 WeakPolarHBondContact O-CB 3.23Å; L326-L329 PolarHBondContact O-N 2.69Å; G327-L329 VanDerWaalsContact C-N 3.32Å; G327-L329 PolarHBondContact O-N 2.87Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.38Å; L329-C332 PolarHBondContact O-N 3.4Å; L329-C332 VanDerWaalsContact O-N 3.08Å; L329-I333 HydrophobicContact CB-CD1 4.43Å; L329-I333 WeakPolarHBondContact O-CG1 3.29Å; L329-I333 PolarHBondContact O-N 2.75Å
330N86Confident84.3Confident3 Ų333.2 Ų33.22%0.01617%0.172CC..Hα-helixtrans-53.7-43.1177.1-174.366.5000113.2F293 C296 W297 G327 Y328 C332 I333 N334F293-N330 WeakPolarHBondContact CA-OD1 3.1Å; C296-N330 HydrophobicContact CB-CB 3.9Å; W297-N330 PolarHBondContact NE1-ND2 3.41Å; G327-N330 WeakPolarHBondContact O-CB 3.4Å; G327-N330 PolarHBondContact O-N 3.47Å; G327-N330 VanDerWaalsContact O-N 3.16Å; Y328-N330 PolarHBondContact O-N 3.42Å; N330-C332 PolarHBondContact O-N 3.21Å; N330-I333 PolarHBondContact O-N 3.11Å; N330-N334 PolarHBondContact O-N 3.4Å; N330-N334 PolarHBondContact O-ND2 3.03Å
331S85.3Confident83.1Confident1 Ų135.1 Ų35.11%0.00718%0.18CC..Hα-helixtrans-64.3-26.2-179.3660000113.4N50 D78 Y328 L329 P335N50-S331 PolarHBondContact ND2-O 3.31Å; N50-S331 VanDerWaalsContact ND2-O 3.11Å; D78-S331 WeakPolarHBondContact OD1-CB 3.31Å; Y328-S331 PolarHBondContact O-N 2.74Å; Y328-S331 PolarHBondContact O-OG 3.14Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.38Å; S331-P335 WeakPolarHBondContact O-CD 3.11Å
332C82.6Confident82.1Confident7 Ų732.8 Ų32.85%0.04717%0.173CC..Hα-helixtrans-91-23.7178-69.80000112.4F42 F45 G46 L329 N330 N334F42-C332 HydrophobicContact CD2-CB 4.2Å; F42-C332 HydrophobicContact CE2-CB 3.43Å; F42-C332 VanDerWaalsContact CE2-CB 3.43Å; F42-C332 WeakPolarHBondContact CE2-SG 3.38Å; F42-C332 HydrophobicContact CZ-CB 4.01Å; F42-C332 WeakPolarHBondContact CZ-SG 3.28Å; F45-C332 HydrophobicContact CD1-CB 3.91Å; F45-C332 WeakPolarHBondContact CE1-O 3.28Å; G46-C332 WeakPolarHBondContact CA-SG 3.47Å; L329-C332 PolarHBondContact O-N 3.4Å; L329-C332 VanDerWaalsContact O-N 3.08Å; N330-C332 PolarHBondContact O-N 3.21Å; C332-N334 VanDerWaalsContact C-N 3.32Å
333I84.1Confident81Confident45 Ų4535.8 Ų35.823%0.23118%0.177CC..Hα-helixtrans-71.7-32.3177.1-70.3164.9000110.6C292 C296 L329 N330 I336 I337C292-I333 HydrophobicContact CB-CG2 4.16Å; C296-I333 VanDerWaalsContact SG-CD1 3.6Å; L329-I333 HydrophobicContact CB-CD1 4.43Å; L329-I333 WeakPolarHBondContact O-CG1 3.29Å; L329-I333 PolarHBondContact O-N 2.75Å; N330-I333 PolarHBondContact O-N 3.11Å; I333-I336 WeakPolarHBondContact O-CB 3.21Å; I333-I336 PolarHBondContact O-N 3.42Å; I333-I337 HydrophobicContact CG2-CD1 3.35Å; I333-I337 HydrophobicContact CG2-CG1 3.72Å; I333-I337 WeakPolarHBondContact O-CG1 3.27Å; I333-I337 PolarHBondContact O-N 2.88Å
334N81.6Confident79.9Confident1 Ų139.2 Ų39.21%0.00519%0.193CC..Hα-helixtrans-56.2-51.2-176.5-69.6-24.6000113.6D78 N330 C332 I336 I337 Y338D78-N334 PolarHBondContact OD2-ND2 2.91Å; N330-N334 PolarHBondContact O-N 3.4Å; N330-N334 PolarHBondContact O-ND2 3.03Å; C332-N334 VanDerWaalsContact C-N 3.32Å; N334-I336 PolarHBondContact O-N 3.29Å; N334-I337 PolarHBondContact O-N 2.8Å; N334-Y338 HydrophobicContact CB-CE2 4.02Å; N334-Y338 WeakPolarHBondContact O-CD2 3.25Å; N334-Y338 WeakPolarHBondContact O-CE2 3.37Å; N334-Y338 PolarHBondContact O-N 3.31Å
335P82.5Confident78.9Confident6 Ų639 Ų394%0.03919%0.192CC..Hα-helixtrans-61.2-20174.3-26.135.2000115.7F45 G49 V53 S331 P339F45-P335 HydrophobicContact CE1-CB 4.45Å; G49-P335 VanDerWaalsContact C-CG 3.45Å; V53-P335 HydrophobicContact CG2-CB 4.15Å; V53-P335 HydrophobicContact CG2-CG 4.31Å; S331-P335 WeakPolarHBondContact O-CD 3.11Å; P335-P339 WeakPolarHBondContact O-CD 3.34Å; P335-P339 WeakPolarHBondContact O-CG 3.4Å
336I81.3Confident78.1Confident84 Ų8443.4 Ų43.443%0.43121%0.212SC..Hα-helixtrans-83.1-41.7175.6-59.8170.9000110.2F45 I333 N334 Y338 P339 C340F45-I336 HydrophobicContact CE1-CD1 3.73Å; F45-I336 HydrophobicContact CE1-CG1 3.59Å; F45-I336 HydrophobicContact CE2-CG1 4.48Å; F45-I336 HydrophobicContact CZ-CD1 3.66Å; F45-I336 HydrophobicContact CZ-CG1 3.34Å; I333-I336 WeakPolarHBondContact O-CB 3.21Å; I333-I336 PolarHBondContact O-N 3.42Å; N334-I336 PolarHBondContact O-N 3.29Å; I336-Y338 PolarHBondContact O-N 2.99Å; I336-P339 WeakPolarHBondContact O-CD 3.49Å; I336-C340 WeakPolarHBondContact O-CB 3.32Å; I336-C340 PolarHBondContact O-N 3.34Å; I336-C340 PolarHBondContact O-SG 3.28Å
337I77.8Confident77.4Confident7 Ų747.5 Ų47.54%0.03623%0.228CC..Hα-helixtrans-64-44.5-176.8-67.3173.7000110.9T285 V289 C292 I333 N334 C340 F341T285-I337 HydrophobicContact CG2-CG2 4.47Å; V289-I337 HydrophobicContact CG2-CB 4.41Å; V289-I337 HydrophobicContact CG2-CD1 4.14Å; V289-I337 HydrophobicContact CG2-CG2 3.42Å; V289-I337 VanDerWaalsContact CG2-CG2 3.42Å; C292-I337 HydrophobicContact CB-CD1 4.19Å; I333-I337 HydrophobicContact CG2-CD1 3.35Å; I333-I337 HydrophobicContact CG2-CG1 3.72Å; I333-I337 WeakPolarHBondContact O-CG1 3.27Å; I333-I337 PolarHBondContact O-N 2.88Å; N334-I337 PolarHBondContact O-N 2.8Å; I337-C340 PolarHBondContact O-N 2.88Å; I337-F341 HydrophobicContact CG2-CD2 3.88Å; I337-F341 HydrophobicContact CG2-CE2 4.49Å; I337-F341 VanDerWaalsContact O-CD2 3.29Å; I337-F341 WeakPolarHBondContact O-CD2 3.17Å; I337-F341 PolarHBondContact O-N 3.25Å
338Y75Confident76.4Confident20 Ų2047.9 Ų47.98%0.07823%0.231CC..Hα-helixtrans-60.7-48.7-173.7-52.8-51.8000113.7V53 I71 L74 N334 I336 F341 S342V53-Y338 HydrophobicContact CG1-CD2 4.23Å; V53-Y338 HydrophobicContact CG1-CE2 4.34Å; V53-Y338 HydrophobicContact CG2-CD2 3.95Å; V53-Y338 HydrophobicContact CG2-CE2 4.45Å; I71-Y338 HydrophobicContact CG2-CD2 4.27Å; I71-Y338 HydrophobicContact CG2-CE1 4.33Å; I71-Y338 HydrophobicContact CG2-CE2 3.93Å; L74-Y338 WeakPolarHBondContact CD2-OH 3.3Å; N334-Y338 HydrophobicContact CB-CE2 4.02Å; N334-Y338 WeakPolarHBondContact O-CD2 3.25Å; N334-Y338 WeakPolarHBondContact O-CE2 3.37Å; N334-Y338 PolarHBondContact O-N 3.31Å; I336-Y338 PolarHBondContact O-N 2.99Å; Y338-F341 PolarHBondContact O-N 2.96Å; Y338-S342 WeakPolarHBondContact O-CB 3.39Å; Y338-S342 PolarHBondContact O-N 3.21Å
339P71.4Confident75.7Confident19 Ų1949 Ų4912%0.12324%0.235CC..Hα-helixtrans-71-29.1177.4-20.334.8000114.4P335 I336 F341 K346 F349P335-P339 WeakPolarHBondContact O-CD 3.34Å; P335-P339 WeakPolarHBondContact O-CG 3.4Å; I336-P339 WeakPolarHBondContact O-CD 3.49Å; P339-F341 VanDerWaalsContact C-N 3.26Å; P339-F341 PolarHBondContact O-N 2.69Å; P339-K346 WeakPolarHBondContact O-CB 3.48Å; P339-F349 HydrophobicContact CB-CG 4.49Å; P339-F349 HydrophobicContact CG-CD1 3.71Å; P339-F349 HydrophobicContact CG-CD2 4.1Å; P339-F349 HydrophobicContact CG-CE1 3.78Å; P339-F349 HydrophobicContact CG-CE2 4.17Å; P339-F349 HydrophobicContact CG-CG 3.88Å; P339-F349 HydrophobicContact CG-CZ 4.02Å
340C68.6Low75.3Confident86 Ų8649.7 Ų49.758%0.58124%0.237SC*.Hα-helixtrans-67.4-31.3177.7-780000112.1I336 I337I336-C340 WeakPolarHBondContact O-CB 3.32Å; I336-C340 PolarHBondContact O-N 3.34Å; I336-C340 PolarHBondContact O-SG 3.28Å; I337-C340 PolarHBondContact O-N 2.88Å
341F63.7Low74.8Confident79 Ų7951.9 Ų51.935%0.34625%0.249SC..Hα-helixtrans-122.4-14.4-165.8-68.3-79.3000115.1T285 I288 I337 Y338 P339T285-F341 HydrophobicContact CG2-CB 3.23Å; T285-F341 HydrophobicContact CG2-CG 4Å; T285-F341 WeakPolarHBondContact OG1-CB 3.17Å; I288-F341 HydrophobicContact CD1-CD1 4.1Å; I288-F341 HydrophobicContact CD1-CE1 3.34Å; I288-F341 HydrophobicContact CD1-CE2 4.35Å; I288-F341 HydrophobicContact CD1-CZ 3.49Å; I288-F341 VanDerWaalsContact CD1-CZ 3.49Å; I288-F341 HydrophobicContact CG2-CE2 4.28Å; I288-F341 HydrophobicContact CG2-CZ 4.29Å; I337-F341 HydrophobicContact CG2-CD2 3.88Å; I337-F341 HydrophobicContact CG2-CE2 4.49Å; I337-F341 VanDerWaalsContact O-CD2 3.29Å; I337-F341 WeakPolarHBondContact O-CD2 3.17Å; I337-F341 PolarHBondContact O-N 3.25Å; Y338-F341 PolarHBondContact O-N 2.96Å; P339-F341 VanDerWaalsContact C-N 3.26Å; P339-F341 PolarHBondContact O-N 2.69Å
342S66.4Low74.3Confident25 Ų2553.7 Ų53.718%0.17526%0.257CS..  trans-110.7122.1166.7164.40000110.3Y338 E344 F345 K346Y338-S342 WeakPolarHBondContact O-CB 3.39Å; Y338-S342 PolarHBondContact O-N 3.21Å; S342-E344 PolarHBondContact O-N 3.45Å; S342-E344 WeakPolarHBondContact OG-CB 3.39Å; S342-E344 PolarHBondContact OG-N 3.45Å; S342-E344 PolarHBondContact OG-OE2 3.42Å; S342-F345 PolarHBondContact O-N 3.2Å; S342-F345 WeakPolarHBondContact OG-CD2 3.48Å; S342-F345 PolarHBondContact OG-N 3.05Å; S342-K346 WeakPolarHBondContact O-CB 3.3Å; S342-K346 PolarHBondContact O-N 3.11Å
343R65.5Low74Confident170 Ų17059.7 Ų59.764%0.64229%0.288SS*.Hα-helixtrans-66.1-26.5177.4-73.4-177.7170.1178.9-1.5111.2K347R343-K347 WeakPolarHBondContact O-CB 3.28Å; R343-K347 VanDerWaalsContact O-CG 3.28Å; R343-K347 WeakPolarHBondContact O-CG 3.27Å; R343-K347 PolarHBondContact O-N 3.29Å; R343-K347 VanDerWaalsContact O-N 3.08Å
344E68.8Low73.7Confident84 Ų8464.7 Ų64.739%0.39330%0.304SS..Hα-helixtrans-67.2-56.6177.6-55.171-157.900110.1W63 S342 K346 K347 A348W63-E344 HydrophobicContact CE3-CB 4.04Å; W63-E344 HydrophobicContact CE3-CG 3.67Å; W63-E344 HydrophobicContact CH2-CB 4.23Å; W63-E344 HydrophobicContact CH2-CG 3.66Å; W63-E344 HydrophobicContact CZ3-CB 3.75Å; W63-E344 HydrophobicContact CZ3-CG 3.02Å; S342-E344 PolarHBondContact O-N 3.45Å; S342-E344 WeakPolarHBondContact OG-CB 3.39Å; S342-E344 PolarHBondContact OG-N 3.45Å; S342-E344 PolarHBondContact OG-OE2 3.42Å; E344-K346 VanDerWaalsContact C-N 3.31Å; E344-K346 PolarHBondContact O-N 3.49Å; E344-K347 PolarHBondContact O-N 3.49Å; E344-A348 PolarHBondContact O-N 3.3Å
345F68.3Low73.1Confident12 Ų1267.8 Ų67.85%0.05334%0.336CS..Hα-helixtrans-61.5-39.5175.2-81-75.9000111.9S56 V57 H68 I71 S342 K347 A348 F349S56-F345 WeakPolarHBondContact OG-CE1 3.36Å; V57-F345 HydrophobicContact CG2-CE1 4.15Å; V57-F345 HydrophobicContact CG2-CZ 4.27Å; H68-F345 AromaticContact CD2-CZ 3.89Å; I71-F345 HydrophobicContact CD1-CE2 3.93Å; I71-F345 HydrophobicContact CD1-CZ 4.05Å; I71-F345 HydrophobicContact CG2-CZ 3.95Å; S342-F345 PolarHBondContact O-N 3.2Å; S342-F345 WeakPolarHBondContact OG-CD2 3.48Å; S342-F345 PolarHBondContact OG-N 3.05Å; F345-K347 VanDerWaalsContact C-N 3.34Å; F345-K347 PolarHBondContact O-N 3.32Å; F345-A348 PolarHBondContact O-N 2.85Å; F345-F349 HydrophobicContact CD1-CE2 4.39Å; F345-F349 WeakPolarHBondContact O-CB 3.08Å; F345-F349 WeakPolarHBondContact O-CD2 3.5Å; F345-F349 PolarHBondContact O-N 2.96Å
346K75.4Confident72.3Confident137 Ų13775.2 Ų75.260%0.59636%0.364SS*.Hα-helixtrans-56.9-46.5174.9-166.8173.4179.3172.10112.5P339 S342 E344 H350P339-K346 WeakPolarHBondContact O-CB 3.48Å; S342-K346 WeakPolarHBondContact O-CB 3.3Å; S342-K346 PolarHBondContact O-N 3.11Å; E344-K346 VanDerWaalsContact C-N 3.31Å; E344-K346 PolarHBondContact O-N 3.49Å; K346-H350 WeakPolarHBondContact O-CB 3.05Å; K346-H350 PolarHBondContact O-N 3.24Å
347K74.4Confident71Confident140 Ų14075.8 Ų75.861%0.60937%0.374SS*.Hα-helixtrans-67.3-42.9178.7-76.5174.6-178.9-178.10111.4R343 E344 F345 H350 N351R343-K347 WeakPolarHBondContact O-CB 3.28Å; R343-K347 VanDerWaalsContact O-CG 3.28Å; R343-K347 WeakPolarHBondContact O-CG 3.27Å; R343-K347 PolarHBondContact O-N 3.29Å; R343-K347 VanDerWaalsContact O-N 3.08Å; E344-K347 PolarHBondContact O-N 3.49Å; F345-K347 VanDerWaalsContact C-N 3.34Å; F345-K347 PolarHBondContact O-N 3.32Å; K347-H350 PolarHBondContact O-N 2.82Å; K347-N351 WeakPolarHBondContact O-CB 3.35Å; K347-N351 PolarHBondContact O-N 3.23Å; K347-N351 PolarHBondContact O-ND2 2.92Å
348A70.3Confident69.9Low7 Ų779.1 Ų79.16%0.05839%0.394CS..Hα-helixtrans-59.9-49.1177.400000111.6E344 F345 H350 N351 M352E344-A348 PolarHBondContact O-N 3.3Å; F345-A348 PolarHBondContact O-N 2.85Å; A348-H350 PolarHBondContact O-N 2.58Å; A348-N351 PolarHBondContact O-N 2.79Å; A348-M352 WeakPolarHBondContact O-CG 3.34Å; A348-M352 PolarHBondContact O-N 3.32Å
349F75.1Confident68.4Low23 Ų2392.9 Ų92.910%0.10145%0.446CS..Hα-helixtrans-59.3-45.6176.9-89.7-123.8000111.7L52 V53 P339 F345 N351 M352 L353L52-F349 HydrophobicContact CB-CE1 3.92Å; L52-F349 HydrophobicContact CB-CE2 4.43Å; L52-F349 HydrophobicContact CB-CZ 3.78Å; L52-F349 HydrophobicContact CD1-CE1 4.21Å; V53-F349 HydrophobicContact CG2-CE2 4.34Å; V53-F349 HydrophobicContact CG2-CZ 3.82Å; P339-F349 HydrophobicContact CB-CG 4.49Å; P339-F349 HydrophobicContact CG-CD1 3.71Å; P339-F349 HydrophobicContact CG-CD2 4.1Å; P339-F349 HydrophobicContact CG-CE1 3.78Å; P339-F349 HydrophobicContact CG-CE2 4.17Å; P339-F349 HydrophobicContact CG-CG 3.88Å; P339-F349 HydrophobicContact CG-CZ 4.02Å; F345-F349 HydrophobicContact CD1-CE2 4.39Å; F345-F349 WeakPolarHBondContact O-CB 3.08Å; F345-F349 WeakPolarHBondContact O-CD2 3.5Å; F345-F349 PolarHBondContact O-N 2.96Å; F349-N351 VanDerWaalsContact C-N 3.34Å; F349-N351 PolarHBondContact O-N 2.91Å; F349-M352 PolarHBondContact O-N 2.62Å; F349-L353 WeakPolarHBondContact O-CB 3.27Å; F349-L353 WeakPolarHBondContact O-CG 3.02Å; F349-L353 PolarHBondContact O-N 3.29Å
350H77.9Confident68.2Low88 Ų8896.6 Ų96.641%0.40746%0.462SS..Hα-helixtrans-66.2-35.5-179.7-160.578.8000113K346 K347 A348 R354K346-H350 WeakPolarHBondContact O-CB 3.05Å; K346-H350 PolarHBondContact O-N 3.24Å; K347-H350 PolarHBondContact O-N 2.82Å; A348-H350 PolarHBondContact O-N 2.58Å; H350-R354 PolarHBondContact NE2-NE 2.65Å; H350-R354 PolarHBondContact NE2-NH1 3.47Å; H350-R354 PolarHBondContact NE2-NH2 2.77Å; H350-R354 WeakPolarHBondContact O-CB 3.32Å; H350-R354 WeakPolarHBondContact O-CG 3.23Å; H350-R354 PolarHBondContact O-N 3.06Å; H350-R354 VanDerWaalsContact O-N 3.15Å
351N75.3Confident68.2Low49 Ų4997.1 Ų97.126%0.26246%0.456SS..Hα-helixtrans-69.3-42.8175.9-72.7-18000111.5K347 A348 F349 R354 G355 R356 V358K347-N351 WeakPolarHBondContact O-CB 3.35Å; K347-N351 PolarHBondContact O-N 3.23Å; K347-N351 PolarHBondContact O-ND2 2.92Å; A348-N351 PolarHBondContact O-N 2.79Å; F349-N351 VanDerWaalsContact C-N 3.34Å; F349-N351 PolarHBondContact O-N 2.91Å; N351-R354 CarbonylContact O-C 3.58Å; N351-R354 PolarHBondContact O-N 2.96Å; N351-G355 PolarHBondContact O-N 2.75Å; N351-R356 PolarHBondContact O-N 2.95Å; N351-V358 HydrophobicContact CB-CG2 4.13Å; N351-V358 WeakPolarHBondContact ND2-CG2 3.31Å
352M73.9Confident68.4Low39 Ų3998.1 Ų98.119%0.19246%0.462CS..Hα-helixtrans-63.3-46.6175.4-73.5-179.370.400112.2L52 L55 L59 A348 F349 R354 G355L52-M352 HydrophobicContact CD2-CE 3.78Å; L55-M352 HydrophobicContact CB-CE 3.46Å; L55-M352 VanDerWaalsContact CB-CE 3.46Å; L55-M352 HydrophobicContact CB-SD 4.32Å; L55-M352 HydrophobicContact CD1-CE 3.79Å; L55-M352 HydrophobicContact CG-CE 4.29Å; L59-M352 HydrophobicContact CD1-CE 4.14Å; L59-M352 HydrophobicContact CD1-SD 4.35Å; A348-M352 WeakPolarHBondContact O-CG 3.34Å; A348-M352 PolarHBondContact O-N 3.32Å; F349-M352 PolarHBondContact O-N 2.62Å; M352-R354 PolarHBondContact O-N 3.39Å; M352-G355 PolarHBondContact O-N 3.28Å
353L75.9Confident68.6Low133 Ų133102.4 Ų102.470%0.69648%0.479SS*.Hα-helixtrans-62.5-27.2176.8-74.8167.1000112.9F349 G355F349-L353 WeakPolarHBondContact O-CB 3.27Å; F349-L353 WeakPolarHBondContact O-CG 3.02Å; F349-L353 PolarHBondContact O-N 3.29Å; L353-G355 VanDerWaalsContact C-N 3.32Å
354R78.6Confident68.8Low150 Ų15098.2 Ų98.257%0.56647%0.469SS*.THydrogen-bonded Turntrans-88.97.5175.4-74.3-177.7167.8-174-1.1113.8H350 N351 M352 R356H350-R354 PolarHBondContact NE2-NE 2.65Å; H350-R354 PolarHBondContact NE2-NH1 3.47Å; H350-R354 PolarHBondContact NE2-NH2 2.77Å; H350-R354 WeakPolarHBondContact O-CB 3.32Å; H350-R354 WeakPolarHBondContact O-CG 3.23Å; H350-R354 PolarHBondContact O-N 3.06Å; H350-R354 VanDerWaalsContact O-N 3.15Å; N351-R354 CarbonylContact O-C 3.58Å; N351-R354 PolarHBondContact O-N 2.96Å; M352-R354 PolarHBondContact O-N 3.39Å; R354-R356 HydrophobicContact CB-CG 4.42Å; R354-R356 PolarHBondContact O-N 2.89Å; R354-R356 VanDerWaalsContact O-N 3.1Å
355G68.1Low68.8Low66 Ų6699.1 Ų99.168%0.6847%0.474SS*.THydrogen-bonded Turntrans64.212.3-178.200000114.1N351 M352 L353 C357N351-G355 PolarHBondContact O-N 2.75Å; M352-G355 PolarHBondContact O-N 3.28Å; L353-G355 VanDerWaalsContact C-N 3.32Å; G355-C357 VanDerWaalsContact C-N 3.35Å; G355-C357 PolarHBondContact O-N 3.3Å
356R65.8Low68.8Low162 Ų162105.4 Ų105.461%0.61150%0.504SS*.  trans-90.577.1176.1-61-175.3-153.3-160.72.9107.6N351 R354 V358N351-R356 PolarHBondContact O-N 2.95Å; R354-R356 HydrophobicContact CB-CG 4.42Å; R354-R356 PolarHBondContact O-N 2.89Å; R354-R356 VanDerWaalsContact O-N 3.1Å; R356-V358 PolarHBondContact O-N 2.93Å
357C54.5Low68.3Low96 Ų96102.9 Ų102.965%0.64950%0.497SS*.  trans-56.8112163.5-88.40000107.4G355 R359G355-C357 VanDerWaalsContact C-N 3.35Å; G355-C357 PolarHBondContact O-N 3.3Å; C357-R359 PolarHBondContact O-N 3.09Å
358V55.7Low67.8Low76 Ų7699.8 Ų99.846%0.46149%0.487SS..  trans-69105.9177.6-179.40000106.2N351 R356N351-V358 HydrophobicContact CB-CG2 4.13Å; N351-V358 WeakPolarHBondContact ND2-CG2 3.31Å; R356-V358 PolarHBondContact O-N 2.93Å
359R42.1Very low67.5Low309 Ų309108.3 Ų108.3100%1.16653%0.527SS*.  trans-66.40173-133.8179.9-170173.32110.5C357C357-R359 PolarHBondContact O-N 3.09Å

Retrieved 359 of 359 residues in 127.3 ms (Link to these results)