A0A087Y427_POEFO Loading...

Transmembrane protein 184a

AlphaFold DB , UniProt , Accession A0A087Y427, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 406 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
1M33.9Very low28.3Very low239 Ų239138.5 Ų138.5100%1.17782%0.821SS**  0114.30-93.3157.8143.900107.3
2N28.5Very low28.4Very low175 Ų175142.3 Ų142.394%0.93682%0.824SS**  trans35.3133.6156.2-60.13.4000119.5
3G31.4Very low28.3Very low76 Ų76143.8 Ų143.878%0.78483%0.828SS**  cis-179.3161.411.300000110.3
4S25.5Very low28.3Very low111 Ų111144.6 Ų144.678%0.77683%0.828SS**  trans-80.6172.9178-47.80000113.2
5L28.8Very low28.3Very low153 Ų153141.7 Ų141.780%0.80182%0.82SS**  trans89.3126.9159.5-60.4152.6000114.5
6D27.6Very low28.2Very low139 Ų139142.9 Ų142.974%0.74382%0.82SS**  cis-155160.522.2-94.6-43.5000113.8
7M28.1Very low28.2Very low168 Ų168140.7 Ų140.783%0.82881%0.809SS**  trans-44.6150.2164.7-74.1172.1112.200112.8
8D26.3Very low28.2Very low149 Ų149142.9 Ų142.980%0.79781%0.811SS**  -161.3156.169.3-135.8-15.9000116
9S26.1Very low28.1Very low94 Ų94143.5 Ų143.566%0.65781%0.81SS**  trans-61.3140.7-179.2166.40000113.9
10S27.3Very low28.2Very low106 Ų106144.5 Ų144.574%0.74181%0.814SS**  167.2106.7110.1-65.50000111.2
11S28.1Very low28.4Very low113 Ų113146.2 Ų146.279%0.7982%0.815SS**  trans-58.4150.1149.3-42.40000108.1
12E28.8Very low28.4Very low184 Ų184139.7 Ų139.786%0.8679%0.791SS**  -160.9144.954.1-76.9175.812400110.7
13N28Very low29Very low163 Ų163139.9 Ų139.987%0.87279%0.79SS**  trans-57130.7165.7-73.4-39.4000111.3
14N28.2Very low29.1Very low155 Ų155142 Ų14283%0.82978%0.783SS**  trans-124.6115.1153-94.6-23000110
15S28.2Very low29.5Very low101 Ų101141.6 Ų141.671%0.70678%0.777SS**  trans-37.3119.4172.735.40000115.1V17S15-V17 PolarHBondContact O-N 3.49Å
16I26.4Very low30Very low160 Ų160143.8 Ų143.882%0.82178%0.783SS**  trans-76.4100.8163.6-61.2172.9000107.2H18I16-H18 PolarHBondContact O-N 3.49Å
17V27.9Very low30.4Very low106 Ų106144.1 Ų144.164%0.64279%0.785SS**  trans-81.4108.3166.3-179.50000106.9S15 L19S15-V17 PolarHBondContact O-N 3.49Å; V17-L19 HydrophobicContact CG1-CD1 4.47Å; V17-L19 HydrophobicContact CG1-CG 4.06Å; V17-L19 PolarHBondContact O-N 3.3Å
18H28.9Very low30.9Very low181 Ų181142.1 Ų142.184%0.83878%0.777SS**  trans-64108.7162.3-105.1-83.8000107.6I16I16-H18 PolarHBondContact O-N 3.49Å
19L26.8Very low31.5Very low153 Ų153138 Ų13880%0.80176%0.757SS**PPolyproline II helixtrans-102.1127.5166-86.3160.6000107.7V17V17-L19 HydrophobicContact CG1-CD1 4.47Å; V17-L19 HydrophobicContact CG1-CG 4.06Å; V17-L19 PolarHBondContact O-N 3.3Å
20D29.4Very low31.9Very low163 Ų163139.3 Ų139.387%0.87276%0.755SS**PPolyproline II helixtrans-52.8138.1180-74.8-52.3000112.2P22D20-P22 WeakPolarHBondContact O-CD 3.13Å
21E31.6Very low32.6Very low181 Ų181136.5 Ų136.585%0.84673%0.731SS**PPolyproline II helixtrans-61118.9176.6-154.7169.1-161.200109.7I23E21-I23 PolarHBondContact O-N 2.98Å
22P33.7Very low32.9Very low102 Ų102142.4 Ų142.466%0.66274%0.736SS**  trans-77113.7172.728.9-28.2000108.5D20 L24D20-P22 WeakPolarHBondContact O-CD 3.13Å; P22-L24 PolarHBondContact O-N 3.21Å
23I41.8Very low33.4Very low179 Ų179136.3 Ų136.392%0.91871%0.712SS**  trans-56106.3167.4-58162.9000107.5E21E21-I23 PolarHBondContact O-N 2.98Å
24L34.3Very low34Very low121 Ų121140.5 Ų140.563%0.63472%0.715SS**  trans-119.2134.9179-143.2126.8000109P22P22-L24 PolarHBondContact O-N 3.21Å
25P33.9Very low34.5Very low103 Ų103140.5 Ų140.567%0.66972%0.715SS**  trans-67145.9-171.526.2-32.5000112.2N27P25-N27 PolarHBondContact O-N 3.5Å
26E38.1Very low35Very low198 Ų198139.1 Ų139.193%0.92572%0.717SS**SBendtrans-58.19.3-168.5-75.6179137.100118.2
27N36.2Very low35.2Very low147 Ų147135 Ų13579%0.78670%0.702SS**  trans-121.530.1-164.9-72.1-11.7000116.4P25P25-N27 PolarHBondContact O-N 3.5Å
28I39.6Very low35.8Very low125 Ų125137.7 Ų137.764%0.64171%0.712SS**  trans-132.2106.6173.3-59.3177.5000110.9I30I28-I30 HydrophobicContact CG2-CG1 4.19Å; I28-I30 PolarHBondContact O-N 3.4Å
29T38.8Very low36.3Very low62 Ų62133.9 Ų133.938%0.3870%0.702SS.*  trans-70.5113.4169.60.50000110
30I34.1Very low37.1Very low122 Ų122133.8 Ų133.863%0.62670%0.702SS**  trans-100.6114.1178-59.2173.7000109I28I28-I30 HydrophobicContact CG2-CG1 4.19Å; I28-I30 PolarHBondContact O-N 3.4Å
31I41.5Very low38.2Very low47 Ų47132.6 Ų132.624%0.24169%0.691CS.*  trans-90.2111.2170.3-66.5149.3000108.3T33 L282I31-T33 PolarHBondContact O-N 3.1Å; I31-L282 HydrophobicContact CD1-CB 4.28Å; I31-L282 HydrophobicContact CD1-CD2 3.32Å; I31-L282 HydrophobicContact CD1-CG 3.58Å; I31-L282 HydrophobicContact CG1-CD2 4.21Å; I31-L282 HydrophobicContact CG1-CG 3.94Å; I31-L282 HydrophobicContact CG2-CD1 4.17Å; I31-L282 HydrophobicContact CG2-CD2 4.37Å; I31-L282 HydrophobicContact CG2-CG 3.84Å
32R34.6Very low39.6Very low238 Ų238125.5 Ų125.590%0.89866%0.659SS**  trans-87.798.6176.2-167.5174.3-144.3160.76.8110.2
33T38.8Very low41.4Very low55 Ų55125.3 Ų125.334%0.33765%0.648SS.*  trans-76.9147.7165.222.90000110.8I31 N35 G36 S37I31-T33 PolarHBondContact O-N 3.1Å; T33-N35 PolarHBondContact O-N 3.03Å; T33-G36 PolarHBondContact O-N 3.4Å; T33-G36 VanDerWaalsContact O-N 3.13Å; T33-S37 PolarHBondContact OG1-O 2.92Å
34R42Very low42.7Very low251 Ų251117 Ų11795%0.94761%0.605SS**THydrogen-bonded Turntrans-55.9-13.4-174.5-161.9175.8-165.1160.34.1115.2
35N37.3Very low44.3Very low156 Ų156113.8 Ų113.883%0.83459%0.588SS**THydrogen-bonded Turntrans-110.514.2-178.3-84.94.3000115.2T33 S37T33-N35 PolarHBondContact O-N 3.03Å; N35-S37 PolarHBondContact O-N 3.19Å
36G38.9Very low46.4Very low72 Ų72110.8 Ų110.874%0.74257%0.568SS**  trans66.414169.400000115.7T33 L38T33-G36 PolarHBondContact O-N 3.4Å; T33-G36 VanDerWaalsContact O-N 3.13Å; G36-L38 PolarHBondContact O-N 2.76Å
37S32Very low48.3Very low72 Ų72106.7 Ų106.750%0.50356%0.557SS.*  trans-81.7110.7168.9172.80000109.3T33 N35 T39T33-S37 PolarHBondContact OG1-O 2.92Å; N35-S37 PolarHBondContact O-N 3.19Å; S37-T39 PolarHBondContact O-N 3.14Å; S37-T39 VanDerWaalsContact O-N 3.08Å
38L38.8Very low50.5Low164 Ų164104 Ų10486%0.85955%0.545SS*.  trans-72.189.7171.4-125.4138.6000107.9G36G36-L38 PolarHBondContact O-N 2.76Å
39T39.4Very low52.5Low101 Ų10198 Ų9862%0.6252%0.515SS*.  trans-95.1121.5172.1-0.10000108.3S37S37-T39 PolarHBondContact O-N 3.14Å; S37-T39 VanDerWaalsContact O-N 3.08Å
40D43.7Very low54.6Low151 Ų15197.7 Ų97.781%0.80751%0.509SS*.  trans-41155.9171.4-89.7-38.9000112.8M42D40-M42 PolarHBondContact O-N 3.34Å
41Q52.4Low57.1Low138 Ų13894.3 Ų94.365%0.64550%0.5SS*.SBendtrans-23129.2169.5-71.5173.2-38.600112.7F43Q41-F43 PolarHBondContact O-N 3.32Å; Q41-F43 VanDerWaalsContact O-N 3.12Å
42M61Low59.4Low32 Ų3295.7 Ų95.716%0.15851%0.507CS..  trans-42.6125.3174.7-82.4-179.168.100110.6D40 L44 N45 L282 I284 V294D40-M42 PolarHBondContact O-N 3.34Å; M42-L44 HydrophobicContact CE-CD1 3.93Å; M42-L44 PolarHBondContact O-N 3.2Å; M42-N45 PolarHBondContact O-N 3.49Å; M42-L282 HydrophobicContact CG-CD2 3.39Å; M42-L282 HydrophobicContact SD-CB 4.41Å; M42-L282 HydrophobicContact SD-CD2 3.25Å; M42-L282 WeakPolarHBondContact SD-CD2 3.22Å; M42-L282 HydrophobicContact SD-CG 4.42Å; M42-I284 HydrophobicContact SD-CD1 3.89Å; M42-I284 HydrophobicContact SD-CG1 4.45Å; M42-V294 HydrophobicContact CE-CB 4.14Å; M42-V294 HydrophobicContact CE-CG1 3.4Å; M42-V294 HydrophobicContact CE-CG2 3.87Å; M42-V294 HydrophobicContact SD-CG1 4.44Å; M42-V294 HydrophobicContact SD-CG2 4.12Å
43F71.8Confident62Low98 Ų9884.4 Ų84.443%0.4346%0.464SS..G310 helixtrans-46.7-35.4-179.2173.9-100.9000113.1Q41 N45 T46 A49 W298 F301Q41-F43 PolarHBondContact O-N 3.32Å; Q41-F43 VanDerWaalsContact O-N 3.12Å; F43-N45 VanDerWaalsContact C-N 3.31Å; F43-N45 PolarHBondContact O-N 3.42Å; F43-T46 WeakPolarHBondContact O-CB 3.49Å; F43-T46 PolarHBondContact O-N 3.1Å; F43-T46 VanDerWaalsContact O-N 3.15Å; F43-T46 PolarHBondContact O-OG1 3.41Å; F43-A49 HydrophobicContact CD1-CB 4.16Å; F43-A49 HydrophobicContact CE1-CB 3.88Å; F43-A49 HydrophobicContact CZ-CB 4.06Å; F43-A49 WeakPolarHBondContact O-CB 3.33Å; F43-W298 AromaticContact CD1-CH2 3.76Å; F43-W298 HydrophobicContact CD1-CH2 3.76Å; F43-W298 HydrophobicContact CD1-CZ2 4.41Å; F43-W298 HydrophobicContact CD1-CZ3 4.35Å; F43-W298 HydrophobicContact CE1-CH2 4.43Å; F43-F301 HydrophobicContact CE1-CE1 4.09Å; F43-F301 HydrophobicContact CE1-CE2 4.45Å; F43-F301 AromaticContact CE1-CZ 3.89Å; F43-F301 HydrophobicContact CE1-CZ 3.89Å; F43-F301 HydrophobicContact CZ-CZ 4.42Å
44L69.3Low64.4Low5 Ų582 Ų823%0.02645%0.451CS..G310 helixtrans-62.5-31.7178-68.5171.8000114.2M42 T46 L102 W298 F301M42-L44 HydrophobicContact CE-CD1 3.93Å; M42-L44 PolarHBondContact O-N 3.2Å; L44-T46 VanDerWaalsContact C-N 3.35Å; L44-L102 HydrophobicContact CD2-CD2 4.45Å; L44-W298 HydrophobicContact CD1-CB 4.44Å; L44-W298 HydrophobicContact CD1-CD2 4Å; L44-W298 HydrophobicContact CD1-CG 3.76Å; L44-W298 HydrophobicContact CD2-CD2 4.19Å; L44-W298 HydrophobicContact CD2-CE3 4.29Å; L44-W298 HydrophobicContact CG-CD2 4.22Å; L44-W298 HydrophobicContact CG-CG 4.48Å; L44-W298 HydrophobicContact CG-CZ2 4.4Å; L44-F301 HydrophobicContact CD2-CB 3.64Å; L44-F301 HydrophobicContact CD2-CD2 4.37Å; L44-F301 HydrophobicContact CD2-CG 3.97Å
45N67.6Low66.9Low52 Ų5275.6 Ų75.628%0.27843%0.434SS..G310 helixtrans-87.4-7.1177.6-75.1-12.7000112.6M42 F43 I284M42-N45 PolarHBondContact O-N 3.49Å; F43-N45 VanDerWaalsContact C-N 3.31Å; F43-N45 PolarHBondContact O-N 3.42Å; N45-I284 WeakPolarHBondContact ND2-CG2 3.25Å
46T78.5Confident69.5Low41 Ų4170.5 Ų70.525%0.25241%0.405SS..SBendtrans-70.2135.7176.4-43.40000109.6F43 L44 T48 A49 Q50F43-T46 WeakPolarHBondContact O-CB 3.49Å; F43-T46 PolarHBondContact O-N 3.1Å; F43-T46 VanDerWaalsContact O-N 3.15Å; F43-T46 PolarHBondContact O-OG1 3.41Å; L44-T46 VanDerWaalsContact C-N 3.35Å; T46-T48 HydrophobicContact CG2-CG2 4.29Å; T46-T48 WeakPolarHBondContact CG2-OG1 3.37Å; T46-T48 PolarHBondContact O-N 3Å; T46-A49 PolarHBondContact O-N 3.23Å; T46-Q50 PolarHBondContact O-N 3.12Å
47V78.1Confident72.1Confident112 Ų11267.1 Ų67.168%0.67937%0.37SS*.Hα-helixtrans-52.1-31.2176179.90000111.7A51V47-A51 WeakPolarHBondContact O-CB 3.06Å; V47-A51 PolarHBondContact O-N 2.77Å
48T83.2Confident75Confident89 Ų8970.5 Ų70.555%0.54637%0.371SS..Hα-helixtrans-63.8-42.2176.3540000113.1T46 L52T46-T48 HydrophobicContact CG2-CG2 4.29Å; T46-T48 WeakPolarHBondContact CG2-OG1 3.37Å; T46-T48 PolarHBondContact O-N 3Å; T48-L52 WeakPolarHBondContact O-CB 3.03Å; T48-L52 PolarHBondContact O-N 3.44Å
49A80.4Confident77.7Confident1 Ų164.2 Ų64.21%0.00834%0.342CS..Hα-helixtrans-70.9-41.7179.800000111.1F43 T46 L52 S53 F301F43-A49 HydrophobicContact CD1-CB 4.16Å; F43-A49 HydrophobicContact CE1-CB 3.88Å; F43-A49 HydrophobicContact CZ-CB 4.06Å; F43-A49 WeakPolarHBondContact O-CB 3.33Å; T46-A49 PolarHBondContact O-N 3.23Å; A49-L52 PolarHBondContact O-N 2.88Å; A49-S53 WeakPolarHBondContact O-CB 3.49Å; A49-S53 PolarHBondContact O-N 3.33Å; A49-S53 PolarHBondContact O-OG 3.34Å; A49-F301 HydrophobicContact CB-CE2 4.12Å
50Q82.8Confident80.3Confident54 Ų5459.4 Ų59.425%0.25231%0.312SS..Hα-helixtrans-66.2-38.7175.8-66.1-178.5-1500112.6T46 S53 G54T46-Q50 PolarHBondContact O-N 3.12Å; Q50-S53 PolarHBondContact O-OG 3.24Å; Q50-S53 VanDerWaalsContact O-OG 3.05Å; Q50-G54 PolarHBondContact O-N 3.19Å
51A87.3Confident82.6Confident52 Ų5253.4 Ų53.443%0.4328%0.28SS..Hα-helixtrans-67.5-42.917500000111.4V47 G54 I55V47-A51 WeakPolarHBondContact O-CB 3.06Å; V47-A51 PolarHBondContact O-N 2.77Å; A51-G54 PolarHBondContact O-N 3.03Å; A51-I55 WeakPolarHBondContact O-CG1 3.4Å; A51-I55 PolarHBondContact O-N 3.13Å
52L90.2Very high84.6Confident76 Ų7652.7 Ų52.740%0.39828%0.28SS..Hα-helixtrans-63.4-48.5178.4-175.364000111.5T48 A49 G54 I55 F56 F301T48-L52 WeakPolarHBondContact O-CB 3.03Å; T48-L52 PolarHBondContact O-N 3.44Å; A49-L52 PolarHBondContact O-N 2.88Å; L52-G54 VanDerWaalsContact C-N 3.3Å; L52-G54 PolarHBondContact O-N 3.31Å; L52-I55 PolarHBondContact O-N 3.24Å; L52-F56 HydrophobicContact CD1-CD2 4.13Å; L52-F56 HydrophobicContact CD1-CE2 3.56Å; L52-F56 HydrophobicContact CD1-CZ 4.45Å; L52-F56 HydrophobicContact CD2-CE2 4.41Å; L52-F56 HydrophobicContact CG-CD2 4.06Å; L52-F56 HydrophobicContact CG-CE2 3.76Å; L52-F56 WeakPolarHBondContact O-CD2 3.26Å; L52-F56 PolarHBondContact O-N 2.99Å; L52-F301 HydrophobicContact CD2-CZ 4.42Å
53S88.3Confident86.1Confident0 Ų053.1 Ų53.10%028%0.282CS..Hα-helixtrans-61.6-40.4176.564.50000111.3A49 Q50 I55 F56 V57A49-S53 WeakPolarHBondContact O-CB 3.49Å; A49-S53 PolarHBondContact O-N 3.33Å; A49-S53 PolarHBondContact O-OG 3.34Å; Q50-S53 PolarHBondContact O-OG 3.24Å; Q50-S53 VanDerWaalsContact O-OG 3.05Å; S53-I55 PolarHBondContact O-N 3.37Å; S53-F56 PolarHBondContact O-N 3.44Å; S53-V57 WeakPolarHBondContact O-CB 3.34Å; S53-V57 WeakPolarHBondContact O-CG2 3.49Å; S53-V57 PolarHBondContact O-N 3.32Å
54G90.1Very high87.1Confident6 Ų648.5 Ų48.56%0.06226%0.262CS..Hα-helixtrans-58-45.617400000113.3Q50 A51 L52 F56 V57 W58Q50-G54 PolarHBondContact O-N 3.19Å; A51-G54 PolarHBondContact O-N 3.03Å; L52-G54 VanDerWaalsContact C-N 3.3Å; L52-G54 PolarHBondContact O-N 3.31Å; G54-F56 PolarHBondContact O-N 3.33Å; G54-V57 PolarHBondContact O-N 2.88Å; G54-W58 WeakPolarHBondContact O-CB 3.4Å; G54-W58 PolarHBondContact O-N 2.83Å
55I93.2Very high88.1Confident115 Ų11551.9 Ų51.959%0.5929%0.285SS*.Hα-helixtrans-60.7-47.2177.9-69.1163.9000110.9A51 L52 S53 V57 S59A51-I55 WeakPolarHBondContact O-CG1 3.4Å; A51-I55 PolarHBondContact O-N 3.13Å; L52-I55 PolarHBondContact O-N 3.24Å; S53-I55 PolarHBondContact O-N 3.37Å; I55-V57 PolarHBondContact O-N 3.3Å; I55-S59 WeakPolarHBondContact O-CB 3.16Å; I55-S59 PolarHBondContact O-N 2.9Å; I55-S59 PolarHBondContact O-OG 3.36Å
56F92.9Very high89.2Confident50 Ų5054 Ų5422%0.21929%0.293CS..Hα-helixtrans-61.3-44.5177.5-77.5-66.1000111.7L52 S53 G54 S59 A60 I305 F308L52-F56 HydrophobicContact CD1-CD2 4.13Å; L52-F56 HydrophobicContact CD1-CE2 3.56Å; L52-F56 HydrophobicContact CD1-CZ 4.45Å; L52-F56 HydrophobicContact CD2-CE2 4.41Å; L52-F56 HydrophobicContact CG-CD2 4.06Å; L52-F56 HydrophobicContact CG-CE2 3.76Å; L52-F56 WeakPolarHBondContact O-CD2 3.26Å; L52-F56 PolarHBondContact O-N 2.99Å; S53-F56 PolarHBondContact O-N 3.44Å; G54-F56 PolarHBondContact O-N 3.33Å; F56-S59 PolarHBondContact O-N 3.19Å; F56-S59 PolarHBondContact O-OG 3.2Å; F56-A60 WeakPolarHBondContact O-CB 3.47Å; F56-A60 PolarHBondContact O-N 3.39Å; F56-I305 HydrophobicContact CD2-CG1 4Å; F56-I305 HydrophobicContact CE2-CG1 4.28Å; F56-I305 HydrophobicContact CG-CG1 4.5Å; F56-F308 HydrophobicContact CB-CB 4.37Å; F56-F308 HydrophobicContact CD1-CB 3.99Å; F56-F308 AromaticContact CD1-CD1 3.83Å; F56-F308 HydrophobicContact CD1-CD1 3.83Å; F56-F308 HydrophobicContact CD1-CE1 4.45Å; F56-F308 AromaticContact CD1-CG 3.86Å; F56-F308 HydrophobicContact CD1-CG 3.86Å; F56-F308 HydrophobicContact CE1-CD1 4.05Å; F56-F308 HydrophobicContact CE1-CE1 4.38Å
57V93.1Very high89.7Confident0 Ų052.2 Ų52.20%028%0.282CS..Hα-helixtrans-62.1-50.5179.1168.90000111.2S53 G54 I55 S59 A60 L61 A95 W99 C304S53-V57 WeakPolarHBondContact O-CB 3.34Å; S53-V57 WeakPolarHBondContact O-CG2 3.49Å; S53-V57 PolarHBondContact O-N 3.32Å; G54-V57 PolarHBondContact O-N 2.88Å; I55-V57 PolarHBondContact O-N 3.3Å; V57-S59 VanDerWaalsContact C-N 3.31Å; V57-S59 PolarHBondContact O-N 2.87Å; V57-A60 WeakPolarHBondContact O-CB 3.22Å; V57-A60 PolarHBondContact O-N 3.03Å; V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 HydrophobicContact CG1-CG 4.41Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.41Å; V57-L61 PolarHBondContact O-N 3.46Å; V57-A95 HydrophobicContact CB-CB 4.46Å; V57-A95 HydrophobicContact CG1-CB 4.01Å; V57-A95 HydrophobicContact CG2-CB 4.24Å; V57-W99 HydrophobicContact CB-CB 4.4Å; V57-W99 HydrophobicContact CB-CG 4.49Å; V57-W99 HydrophobicContact CG1-CB 4.08Å; V57-W99 HydrophobicContact CG1-CG 4.33Å; V57-W99 HydrophobicContact CG2-CB 3.87Å; V57-W99 HydrophobicContact CG2-CG 4.28Å; V57-C304 HydrophobicContact CG2-CB 3.74Å
58W93.8Very high90.1Very high143 Ų14347.4 Ų47.454%0.54225%0.252SS..Hα-helixtrans-61.6-39178.3-82.4106.3000112.5G54 L61 L62 W99G54-W58 WeakPolarHBondContact O-CB 3.4Å; G54-W58 PolarHBondContact O-N 2.83Å; W58-L61 HydrophobicContact CE3-CD1 4.27Å; W58-L61 PolarHBondContact O-N 3.44Å; W58-L62 VanDerWaalsContact O-CG 3.32Å; W58-L62 WeakPolarHBondContact O-CG 3.35Å; W58-L62 PolarHBondContact O-N 2.93Å; W58-W99 AromaticContact NE1-CH2 3.86Å
59S94.4Very high90.3Very high33 Ų3348.4 Ų48.423%0.23125%0.247CC..Hα-helixtrans-65.8-41.4175.270.50000112.4I55 F56 V57 L62 I63 F308I55-S59 WeakPolarHBondContact O-CB 3.16Å; I55-S59 PolarHBondContact O-N 2.9Å; I55-S59 PolarHBondContact O-OG 3.36Å; F56-S59 PolarHBondContact O-N 3.19Å; F56-S59 PolarHBondContact O-OG 3.2Å; V57-S59 VanDerWaalsContact C-N 3.31Å; V57-S59 PolarHBondContact O-N 2.87Å; S59-L62 PolarHBondContact O-N 3.18Å; S59-I63 VanDerWaalsContact O-CG1 3.28Å; S59-I63 WeakPolarHBondContact O-CG1 3.5Å; S59-I63 PolarHBondContact O-N 3.16Å; S59-F308 WeakPolarHBondContact OG-CD2 3.41Å; S59-F308 VanDerWaalsContact OG-CE2 3.22Å; S59-F308 WeakPolarHBondContact OG-CE2 3.33Å
60A93.4Very high90.5Very high0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-62.4-42.8175.100000111.9F56 V57 I63 T64 V91 F308 A311F56-A60 WeakPolarHBondContact O-CB 3.47Å; F56-A60 PolarHBondContact O-N 3.39Å; V57-A60 WeakPolarHBondContact O-CB 3.22Å; V57-A60 PolarHBondContact O-N 3.03Å; A60-I63 PolarHBondContact O-N 2.83Å; A60-T64 WeakPolarHBondContact O-CB 3.4Å; A60-T64 PolarHBondContact O-N 3Å; A60-T64 PolarHBondContact O-OG1 3.5Å; A60-V91 HydrophobicContact CB-CG1 4.05Å; A60-F308 HydrophobicContact CB-CB 4.32Å; A60-A311 HydrophobicContact CB-CB 4.26Å
61L93.1Very high90.5Very high25 Ų2546.9 Ų46.913%0.13124%0.241CC..Hα-helixtrans-59.8-50174.6-70.5177.7000111.3V57 W58 I63 T64 C65 P92V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 HydrophobicContact CG1-CG 4.41Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.41Å; V57-L61 PolarHBondContact O-N 3.46Å; W58-L61 HydrophobicContact CE3-CD1 4.27Å; W58-L61 PolarHBondContact O-N 3.44Å; L61-I63 PolarHBondContact O-N 2.95Å; L61-T64 PolarHBondContact O-N 3.25Å; L61-C65 VanDerWaalsContact O-CB 3.27Å; L61-C65 WeakPolarHBondContact O-CB 3.27Å; L61-C65 PolarHBondContact O-N 3.02Å; L61-C65 PolarHBondContact O-SG 3.49Å; L61-P92 VanDerWaalsContact CD2-CA 3.47Å; L61-P92 HydrophobicContact CD2-CB 3.37Å
62L94.3Very high90.2Very high123 Ų12345 Ų4564%0.64422%0.224SC*.Hα-helixtrans-60.5-44.4179.7-72.9173.3000112.4W58 S59 T64 H66W58-L62 VanDerWaalsContact O-CG 3.32Å; W58-L62 WeakPolarHBondContact O-CG 3.35Å; W58-L62 PolarHBondContact O-N 2.93Å; S59-L62 PolarHBondContact O-N 3.18Å; L62-T64 VanDerWaalsContact C-N 3.33Å; L62-T64 PolarHBondContact O-N 3.47Å; L62-H66 WeakPolarHBondContact O-CB 3.49Å; L62-H66 PolarHBondContact O-N 3.43Å
63I92.8Very high89.8Confident40 Ų4050.2 Ų50.221%0.20524%0.238CC..Hα-helixtrans-60.3-46.2177.5-68.9167.2000110.4S59 A60 L61 H66 Q67 F308 A311 I312S59-I63 VanDerWaalsContact O-CG1 3.28Å; S59-I63 WeakPolarHBondContact O-CG1 3.5Å; S59-I63 PolarHBondContact O-N 3.16Å; A60-I63 PolarHBondContact O-N 2.83Å; L61-I63 PolarHBondContact O-N 2.95Å; I63-H66 PolarHBondContact O-N 3.36Å; I63-Q67 PolarHBondContact O-N 3.03Å; I63-F308 HydrophobicContact CD1-CD2 4.22Å; I63-F308 HydrophobicContact CD1-CE2 3.78Å; I63-A311 HydrophobicContact CB-CB 4.29Å; I63-A311 HydrophobicContact CG2-CB 4.02Å; I63-I312 HydrophobicContact CD1-CG1 4.05Å
64T91.7Very high89.2Confident2 Ų250.8 Ų50.81%0.01224%0.242CC..Hα-helixtrans-72.9-42.7-175.6-510000111.7A60 L61 L62 H66 Q67 I68 L88 V91 P92A60-T64 WeakPolarHBondContact O-CB 3.4Å; A60-T64 PolarHBondContact O-N 3Å; A60-T64 PolarHBondContact O-OG1 3.5Å; L61-T64 PolarHBondContact O-N 3.25Å; L62-T64 VanDerWaalsContact C-N 3.33Å; L62-T64 PolarHBondContact O-N 3.47Å; T64-H66 VanDerWaalsContact C-N 3.33Å; T64-H66 PolarHBondContact O-N 3.13Å; T64-Q67 WeakPolarHBondContact O-CB 3.33Å; T64-Q67 PolarHBondContact O-N 3.15Å; T64-Q67 VanDerWaalsContact O-N 3.1Å; T64-I68 HydrophobicContact CG2-CD1 3.89Å; T64-I68 HydrophobicContact CG2-CG1 4.33Å; T64-I68 WeakPolarHBondContact O-CG1 3.5Å; T64-I68 PolarHBondContact O-N 3Å; T64-L88 HydrophobicContact CG2-CB 4.37Å; T64-L88 VanDerWaalsContact CG2-O 3.31Å; T64-L88 WeakPolarHBondContact CG2-O 3.32Å; T64-V91 HydrophobicContact CG2-CB 4.39Å; T64-V91 WeakPolarHBondContact OG1-CG1 2.94Å; T64-P92 HydrophobicContact CG2-CG 4.33Å
65C90.5Very high88.6Confident75 Ų7553 Ų5351%0.50725%0.249SC..Hα-helixtrans-59.1-43.5173.6-72.30000111.5L61 Q67 I68 Y69L61-C65 VanDerWaalsContact O-CB 3.27Å; L61-C65 WeakPolarHBondContact O-CB 3.27Å; L61-C65 PolarHBondContact O-N 3.02Å; L61-C65 PolarHBondContact O-SG 3.49Å; C65-Q67 VanDerWaalsContact C-N 3.33Å; C65-Q67 PolarHBondContact O-N 2.68Å; C65-I68 PolarHBondContact O-N 3.42Å; C65-Y69 VanDerWaalsContact O-CB 3.28Å; C65-Y69 WeakPolarHBondContact O-CB 3.28Å; C65-Y69 PolarHBondContact O-N 2.89Å
66H91Very high87.8Confident97 Ų9749.2 Ų49.245%0.44923%0.231SC..Hα-helixtrans-60.4-43.1173.7177.6-70.2000111.6L62 I63 T64 T70 R315L62-H66 WeakPolarHBondContact O-CB 3.49Å; L62-H66 PolarHBondContact O-N 3.43Å; I63-H66 PolarHBondContact O-N 3.36Å; T64-H66 VanDerWaalsContact C-N 3.33Å; T64-H66 PolarHBondContact O-N 3.13Å; H66-T70 PolarHBondContact CE1-OG1 3.3Å; H66-T70 WeakPolarHBondContact O-CB 3.32Å; H66-T70 PolarHBondContact O-N 2.84Å; H66-T70 PolarHBondContact O-OG1 2.99Å; H66-R315 PolarHBondContact ND1-NH1 3.26Å; H66-R315 VanDerWaalsContact ND1-NH1 3.14Å
67Q88.9Confident87.2Confident3 Ų347.9 Ų47.91%0.01423%0.227CC..Hα-helixtrans-65.3-46.1179.5-167.8-175.9-6.800111.8I63 T64 C65 T70 H71 L88 L314 F318I63-Q67 PolarHBondContact O-N 3.03Å; T64-Q67 WeakPolarHBondContact O-CB 3.33Å; T64-Q67 PolarHBondContact O-N 3.15Å; T64-Q67 VanDerWaalsContact O-N 3.1Å; C65-Q67 VanDerWaalsContact C-N 3.33Å; C65-Q67 PolarHBondContact O-N 2.68Å; Q67-T70 PolarHBondContact O-N 3.46Å; Q67-H71 PolarHBondContact O-CD2 3.09Å; Q67-H71 PolarHBondContact O-N 3.24Å; Q67-L88 HydrophobicContact CB-CD2 4.03Å; Q67-L88 HydrophobicContact CG-CD2 3.53Å; Q67-L314 PolarHBondContact NE2-O 3.06Å; Q67-F318 PolarHBondContact NE2-O 2.87Å; Q67-F318 VanDerWaalsContact NE2-O 3.15Å
68I87.8Confident86.4Confident11 Ų1150.5 Ų50.56%0.05624%0.244CC..Hα-helixtrans-60.4-46.7175.8-67.8168.4000110.3T64 C65 T70 H71 L72 I85 L88 F89T64-I68 HydrophobicContact CG2-CD1 3.89Å; T64-I68 HydrophobicContact CG2-CG1 4.33Å; T64-I68 WeakPolarHBondContact O-CG1 3.5Å; T64-I68 PolarHBondContact O-N 3Å; C65-I68 PolarHBondContact O-N 3.42Å; I68-T70 VanDerWaalsContact C-N 3.28Å; I68-T70 PolarHBondContact O-N 3.1Å; I68-H71 PolarHBondContact O-N 3.49Å; I68-L72 HydrophobicContact CG2-CD1 3.78Å; I68-L72 HydrophobicContact CG2-CG 4.27Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 2.79Å; I68-I85 HydrophobicContact CG2-CG2 4.17Å; I68-L88 HydrophobicContact CD1-CB 4.33Å; I68-L88 HydrophobicContact CG1-CB 4Å; I68-L88 HydrophobicContact CG1-CD2 3.92Å; I68-F89 HydrophobicContact CD1-CD1 4.04Å; I68-F89 HydrophobicContact CD1-CD2 4.21Å; I68-F89 HydrophobicContact CD1-CE1 3.84Å; I68-F89 HydrophobicContact CD1-CE2 4.02Å; I68-F89 HydrophobicContact CD1-CG 4.19Å; I68-F89 HydrophobicContact CD1-CZ 3.81Å; I68-F89 HydrophobicContact CG2-CE2 4.48Å; I68-F89 HydrophobicContact CG2-CZ 4.38Å
69Y85.8Confident85.8Confident111 Ų11148.4 Ų48.444%0.43524%0.243SC..Hα-helixtrans-57.6-42.1176.9175.4-97.8000112.1C65 L72 R73 I339C65-Y69 VanDerWaalsContact O-CB 3.28Å; C65-Y69 WeakPolarHBondContact O-CB 3.28Å; C65-Y69 PolarHBondContact O-N 2.89Å; Y69-L72 PolarHBondContact O-N 3.47Å; Y69-R73 WeakPolarHBondContact O-CB 3.41Å; Y69-R73 PolarHBondContact O-N 3.03Å; Y69-I339 HydrophobicContact CE2-CD1 3.96Å
70T84.4Confident85.3Confident23 Ų2348.3 Ų48.314%0.14124%0.239CC..Hα-helixtrans-66.2-40.3179.1-53.30000111.5H66 Q67 I68 R73 S74 C320 Q324H66-T70 PolarHBondContact CE1-OG1 3.3Å; H66-T70 WeakPolarHBondContact O-CB 3.32Å; H66-T70 PolarHBondContact O-N 2.84Å; H66-T70 PolarHBondContact O-OG1 2.99Å; Q67-T70 PolarHBondContact O-N 3.46Å; I68-T70 VanDerWaalsContact C-N 3.28Å; I68-T70 PolarHBondContact O-N 3.1Å; T70-R73 PolarHBondContact O-N 3.35Å; T70-S74 PolarHBondContact O-N 2.9Å; T70-S74 VanDerWaalsContact O-N 3.13Å; T70-C320 HydrophobicContact CG2-CB 3.62Å; T70-Q324 VanDerWaalsContact CG2-NE2 3.27Å
71H83.8Confident84.8Confident0 Ų048.3 Ų48.30%024%0.239CC..Hα-helixtrans-65.1-42.1174.2-82.7-63.8000112.6Q67 I68 R73 S74 Y75 Q81 I85 F318 C320Q67-H71 PolarHBondContact O-CD2 3.09Å; Q67-H71 PolarHBondContact O-N 3.24Å; I68-H71 PolarHBondContact O-N 3.49Å; H71-R73 VanDerWaalsContact C-N 3.35Å; H71-S74 CarbonylContact O-C 3.29Å; H71-S74 VanDerWaalsContact O-C 3.29Å; H71-S74 PolarHBondContact O-N 3.38Å; H71-Y75 PolarHBondContact O-N 3.43Å; H71-Q81 PolarHBondContact O-NE2 3.26Å; H71-I85 HydrophobicContact CB-CD1 4.23Å; H71-I85 HydrophobicContact CB-CG1 4.03Å; H71-F318 PolarHBondContact NE2-O 3.09Å; H71-F318 VanDerWaalsContact NE2-O 3.13Å; H71-C320 PolarHBondContact CD2-SG 3.38Å; H71-C320 PolarHBondContact CE1-SG 2.79Å; H71-C320 PolarHBondContact NE2-SG 3.38Å
72L81.6Confident84.5Confident12 Ų1249.6 Ų49.66%0.06324%0.242CC..Hα-helixtrans-66.9-34.6176.4-70.2170.8000112.6I68 Y69 S74 I85 I339 L343I68-L72 HydrophobicContact CG2-CD1 3.78Å; I68-L72 HydrophobicContact CG2-CG 4.27Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 2.79Å; Y69-L72 PolarHBondContact O-N 3.47Å; L72-S74 VanDerWaalsContact C-N 3.32Å; L72-I85 HydrophobicContact CD2-CD1 3.7Å; L72-I85 HydrophobicContact CG-CD1 4.13Å; L72-I339 HydrophobicContact CB-CG2 4.31Å; L72-I339 HydrophobicContact CD1-CG2 3.88Å; L72-L343 HydrophobicContact CD1-CD1 4.21Å
73R80Confident84.2Confident186 Ų18644.9 Ų44.970%0.70222%0.216SC*.Hα-helixtrans-70.1-31.3176.2-174.7175.8176.7-174.8-0.8112.1Y69 T70 H71Y69-R73 WeakPolarHBondContact O-CB 3.41Å; Y69-R73 PolarHBondContact O-N 3.03Å; T70-R73 PolarHBondContact O-N 3.35Å; H71-R73 VanDerWaalsContact C-N 3.35Å
74S77.7Confident83.9Confident12 Ų1243 Ų438%0.08421%0.207CC..THydrogen-bonded Turntrans-111.348.4-179.4-62.30000111.4T70 H71 L72 T76 Q81 Q324 N327T70-S74 PolarHBondContact O-N 2.9Å; T70-S74 VanDerWaalsContact O-N 3.13Å; H71-S74 CarbonylContact O-C 3.29Å; H71-S74 VanDerWaalsContact O-C 3.29Å; H71-S74 PolarHBondContact O-N 3.38Å; L72-S74 VanDerWaalsContact C-N 3.32Å; S74-T76 VanDerWaalsContact C-N 3.34Å; S74-T76 PolarHBondContact O-N 3.45Å; S74-Q81 PolarHBondContact O-NE2 3.5Å; S74-Q81 PolarHBondContact O-OE1 2.93Å; S74-Q324 WeakPolarHBondContact OG-CG 3.26Å; S74-N327 WeakPolarHBondContact CB-ND2 3.29Å
75Y76.6Confident83.7Confident52 Ų5242.9 Ų42.920%0.20421%0.206CC..  trans-79.576-175.4-157.2-113.5000111.8H71 P78 Q81 I85 M336 T346H71-Y75 PolarHBondContact O-N 3.43Å; Y75-P78 HydrophobicContact CD1-CB 4.23Å; Y75-P78 HydrophobicContact CE1-CB 3.44Å; Y75-P78 VanDerWaalsContact CE1-CB 3.44Å; Y75-P78 PolarHBondContact OH-O 2.92Å; Y75-Q81 VanDerWaalsContact CA-OE1 3.29Å; Y75-Q81 HydrophobicContact CD2-CB 3.91Å; Y75-Q81 HydrophobicContact CE2-CB 3.72Å; Y75-I85 HydrophobicContact CD2-CD1 4.42Å; Y75-I85 HydrophobicContact CE2-CD1 4.11Å; Y75-M336 HydrophobicContact CD1-SD 3.66Å; Y75-M336 HydrophobicContact CE1-SD 4.18Å; Y75-M336 HydrophobicContact CG-SD 4.05Å; Y75-T346 PolarHBondContact OH-OG1 3.42Å
76T75.6Confident83.7Confident36 Ų3639.4 Ų39.422%0.22118%0.182CC..SBendtrans-95.5-33.8-176.445.40000113.5S74 P78 Y323 N327S74-T76 VanDerWaalsContact C-N 3.34Å; S74-T76 PolarHBondContact O-N 3.45Å; T76-P78 WeakPolarHBondContact O-CD 3.32Å; T76-Y323 PolarHBondContact OG1-O 3.48Å; T76-N327 HydrophobicContact CG2-CB 4.08Å; T76-N327 WeakPolarHBondContact CG2-ND2 3.07Å; T76-N327 WeakPolarHBondContact CG2-OD1 3.27Å
77V80.1Confident83.6Confident21 Ų2134.8 Ų34.813%0.12716%0.161CC..  trans-123.183.5-177.9-171.60000107.6N79 E80 Q81 Y323 K326V77-N79 PolarHBondContact O-N 3.24Å; V77-E80 HydrophobicContact CG1-CB 4.09Å; V77-E80 HydrophobicContact CG1-CG 3.83Å; V77-E80 PolarHBondContact O-N 3.41Å; V77-Q81 WeakPolarHBondContact O-CB 3.34Å; V77-Q81 WeakPolarHBondContact O-CG 3.39Å; V77-Q81 PolarHBondContact O-N 3.09Å; V77-Y323 HydrophobicContact CB-CD1 4.31Å; V77-Y323 HydrophobicContact CB-CE1 4.1Å; V77-Y323 HydrophobicContact CG2-CD1 4.17Å; V77-Y323 HydrophobicContact CG2-CE1 4.21Å; V77-K326 HydrophobicContact CG2-CD 3.86Å
78P78.3Confident83.6Confident55 Ų5534.7 Ų34.736%0.35716%0.16SC..Hα-helixtrans-60.1-35-17223-34.4000112.7Y75 T76 E80 R82Y75-P78 HydrophobicContact CD1-CB 4.23Å; Y75-P78 HydrophobicContact CE1-CB 3.44Å; Y75-P78 VanDerWaalsContact CE1-CB 3.44Å; Y75-P78 PolarHBondContact OH-O 2.92Å; T76-P78 WeakPolarHBondContact O-CD 3.32Å; P78-E80 PolarHBondContact O-N 3Å; P78-R82 WeakPolarHBondContact O-CB 3.4Å; P78-R82 PolarHBondContact O-N 2.89Å; P78-R82 VanDerWaalsContact O-N 3.07Å
79N80.1Confident83.7Confident99 Ų9936.4 Ų36.453%0.52917%0.168SC..Hα-helixtrans-61.8-44.5-178.5-63.4-12.1000112V77 Y83V77-N79 PolarHBondContact O-N 3.24Å; N79-Y83 WeakPolarHBondContact O-CD2 3.18Å; N79-Y83 VanDerWaalsContact O-CE2 3.28Å; N79-Y83 WeakPolarHBondContact O-CE2 3.28Å
80E83.8Confident83.8Confident31 Ų3131.4 Ų31.415%0.14515%0.148CC..Hα-helixtrans-79.9-47.9178.7-63.7173.9-167.300111.9V77 P78 R82 Y83 I84 L132 E135 Y136 Y323V77-E80 HydrophobicContact CG1-CB 4.09Å; V77-E80 HydrophobicContact CG1-CG 3.83Å; V77-E80 PolarHBondContact O-N 3.41Å; P78-E80 PolarHBondContact O-N 3Å; E80-R82 VanDerWaalsContact C-N 3.26Å; E80-R82 PolarHBondContact O-N 2.64Å; E80-Y83 PolarHBondContact O-N 3.38Å; E80-I84 HydrophobicContact CB-CD1 4.49Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 3.45Å; E80-I84 VanDerWaalsContact O-N 3.1Å; E80-L132 HydrophobicContact CB-CD1 4.11Å; E80-E135 HydrophobicContact CG-CB 4.46Å; E80-Y136 HydrophobicContact CB-CE1 4.28Å; E80-Y136 HydrophobicContact CG-CD1 3.99Å; E80-Y136 HydrophobicContact CG-CE1 4.01Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.11Å; E80-Y323 WeakPolarHBondContact OE2-CE1 3.25Å; E80-Y323 PolarHBondContact OE2-OH 3.12Å
81Q83.1Confident84.1Confident0 Ų030.3 Ų30.30%014%0.141CC..Hα-helixtrans-65.8-30.3-171.9-69.1-177.7-79.900112.3H71 S74 Y75 V77 I84 I85 Y323H71-Q81 PolarHBondContact O-NE2 3.26Å; S74-Q81 PolarHBondContact O-NE2 3.5Å; S74-Q81 PolarHBondContact O-OE1 2.93Å; Y75-Q81 VanDerWaalsContact CA-OE1 3.29Å; Y75-Q81 HydrophobicContact CD2-CB 3.91Å; Y75-Q81 HydrophobicContact CE2-CB 3.72Å; V77-Q81 WeakPolarHBondContact O-CB 3.34Å; V77-Q81 WeakPolarHBondContact O-CG 3.39Å; V77-Q81 PolarHBondContact O-N 3.09Å; Q81-I84 PolarHBondContact O-N 2.8Å; Q81-I85 WeakPolarHBondContact O-CB 3.47Å; Q81-I85 WeakPolarHBondContact O-CD1 3.36Å; Q81-I85 WeakPolarHBondContact O-CG1 3.07Å; Q81-I85 PolarHBondContact O-N 3.04Å; Q81-Y323 HydrophobicContact CG-CD1 3.99Å; Q81-Y323 HydrophobicContact CG-CD2 4.26Å; Q81-Y323 HydrophobicContact CG-CE1 3.95Å; Q81-Y323 HydrophobicContact CG-CE2 4.22Å; Q81-Y323 HydrophobicContact CG-CG 4.16Å
82R86.1Confident84.5Confident52 Ų5231.2 Ų31.220%0.19615%0.148CC..Hα-helixtrans-57.3-49.4172.9176.7164.7-170-143.5-2.9112.4P78 E80 R86 E345 T346 N348 D351P78-R82 WeakPolarHBondContact O-CB 3.4Å; P78-R82 PolarHBondContact O-N 2.89Å; P78-R82 VanDerWaalsContact O-N 3.07Å; E80-R82 VanDerWaalsContact C-N 3.26Å; E80-R82 PolarHBondContact O-N 2.64Å; R82-R86 WeakPolarHBondContact O-CG 3.41Å; R82-R86 PolarHBondContact O-N 3.25Å; R82-R86 VanDerWaalsContact O-N 3.13Å; R82-E345 PolarHBondContact NE-O 2.91Å; R82-E345 VanDerWaalsContact NE-O 3.13Å; R82-E345 PolarHBondContact NH2-O 2.81Å; R82-T346 HydrophobicContact CB-CG2 4.36Å; R82-T346 HydrophobicContact CG-CG2 4.08Å; R82-N348 PolarHBondContact NH2-O 2.83Å; R82-D351 VanDerWaalsContact CZ-CG 3.42Å; R82-D351 IonicContact CZ-OD1 2.99Å; R82-D351 IonicContact CZ-OD2 2.97Å; R82-D351 IonicContact NE-OD2 2.77Å; R82-D351 IonicContact NH1-OD1 3.5Å; R82-D351 PolarHBondContact NH1-OD1 3.27Å; R82-D351 IonicContact NH1-OD2 2.83Å; R82-D351 PolarHBondContact NH1-OD2 3.07Å; R82-D351 IonicContact NH2-OD1 3.55Å; R82-D351 PolarHBondContact NH2-OD1 3.46Å; R82-D351 IonicContact NH2-OD2 2.86Å; R82-D351 PolarHBondContact NH2-OD2 3.3Å
83Y87.8Confident84.8Confident24 Ų2432.2 Ų32.29%0.09415%0.154CC..Hα-helixtrans-68.7-39.1178.1-62.9-67.1000112N79 E80 R86 I87 N128 S131 L132 E135N79-Y83 WeakPolarHBondContact O-CD2 3.18Å; N79-Y83 VanDerWaalsContact O-CE2 3.28Å; N79-Y83 WeakPolarHBondContact O-CE2 3.28Å; E80-Y83 PolarHBondContact O-N 3.38Å; Y83-R86 PolarHBondContact O-N 2.88Å; Y83-I87 VanDerWaalsContact O-CG1 3.29Å; Y83-I87 WeakPolarHBondContact O-CG1 3.47Å; Y83-I87 PolarHBondContact O-N 2.78Å; Y83-N128 HydrophobicContact CD1-CB 4.1Å; Y83-N128 VanDerWaalsContact CD1-OD1 3.24Å; Y83-N128 WeakPolarHBondContact CD1-OD1 3.44Å; Y83-S131 VanDerWaalsContact CE1-CB 3.46Å; Y83-L132 HydrophobicContact CG-CB 4.33Å; Y83-E135 HydrophobicContact CD2-CG 4.18Å; Y83-E135 HydrophobicContact CE2-CG 3.74Å
84I87.6Confident85.2Confident1 Ų123.8 Ų23.81%0.00512%0.122CC..Hα-helixtrans-58-52.3175.3-67.4164.8000110.1E80 Q81 R86 I87 L88 L132 Y136 F318 Y323E80-I84 HydrophobicContact CB-CD1 4.49Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 3.45Å; E80-I84 VanDerWaalsContact O-N 3.1Å; Q81-I84 PolarHBondContact O-N 2.8Å; I84-R86 VanDerWaalsContact C-N 3.3Å; I84-R86 PolarHBondContact O-N 3.46Å; I84-I87 WeakPolarHBondContact O-CB 3.29Å; I84-I87 PolarHBondContact O-N 2.89Å; I84-L88 HydrophobicContact CG2-CD1 3.58Å; I84-L88 WeakPolarHBondContact O-CD1 2.99Å; I84-L88 PolarHBondContact O-N 3.22Å; I84-L132 HydrophobicContact CD1-CD1 4.32Å; I84-L132 HydrophobicContact CG1-CD1 3.92Å; I84-L132 HydrophobicContact CG1-CD2 3.66Å; I84-L132 HydrophobicContact CG1-CG 4.47Å; I84-Y136 WeakPolarHBondContact CD1-OH 2.95Å; I84-F318 HydrophobicContact CD1-CD1 4.29Å; I84-F318 HydrophobicContact CG1-CD1 3.91Å; I84-F318 HydrophobicContact CG1-CE1 4.16Å; I84-F318 HydrophobicContact CG2-CB 3.96Å; I84-F318 HydrophobicContact CG2-CD1 3.93Å; I84-F318 HydrophobicContact CG2-CG 4Å; I84-Y323 HydrophobicContact CD1-CE2 3.96Å; I84-Y323 WeakPolarHBondContact CD1-OH 3.37Å
85I88.1Confident85.8Confident0 Ų023.2 Ų23.20%012%0.118CC..Hα-helixtrans-58.5-43.4-179.7-69.8162.1000110.8I68 H71 L72 Y75 Q81 I87 L88 F89 T346I68-I85 HydrophobicContact CG2-CG2 4.17Å; H71-I85 HydrophobicContact CB-CD1 4.23Å; H71-I85 HydrophobicContact CB-CG1 4.03Å; L72-I85 HydrophobicContact CD2-CD1 3.7Å; L72-I85 HydrophobicContact CG-CD1 4.13Å; Y75-I85 HydrophobicContact CD2-CD1 4.42Å; Y75-I85 HydrophobicContact CE2-CD1 4.11Å; Q81-I85 WeakPolarHBondContact O-CB 3.47Å; Q81-I85 WeakPolarHBondContact O-CD1 3.36Å; Q81-I85 WeakPolarHBondContact O-CG1 3.07Å; Q81-I85 PolarHBondContact O-N 3.04Å; I85-I87 VanDerWaalsContact C-N 3.34Å; I85-I87 PolarHBondContact O-N 3.24Å; I85-L88 WeakPolarHBondContact O-CB 3.46Å; I85-L88 PolarHBondContact O-N 2.81Å; I85-F89 HydrophobicContact CG2-CD2 3.94Å; I85-F89 HydrophobicContact CG2-CE2 3.59Å; I85-F89 WeakPolarHBondContact O-CD2 3.22Å; I85-F89 PolarHBondContact O-N 3.4Å; I85-T346 HydrophobicContact CB-CG2 3.67Å; I85-T346 HydrophobicContact CD1-CG2 4.08Å; I85-T346 HydrophobicContact CG1-CG2 4.5Å; I85-T346 HydrophobicContact CG2-CG2 3.56Å
86R89.6Confident86.4Confident2 Ų225.1 Ų25.11%0.00813%0.128CC..Hα-helixtrans-59.3-42.3173.8-71173178.3165.83.8112.3R82 Y83 I84 F89 Y121 F124 N128 T346 N348 D351R82-R86 WeakPolarHBondContact O-CG 3.41Å; R82-R86 PolarHBondContact O-N 3.25Å; R82-R86 VanDerWaalsContact O-N 3.13Å; Y83-R86 PolarHBondContact O-N 2.88Å; I84-R86 VanDerWaalsContact C-N 3.3Å; I84-R86 PolarHBondContact O-N 3.46Å; R86-F89 PolarHBondContact O-N 3.44Å; R86-Y121 PolarHBondContact O-OH 3.08Å; R86-F124 HydrophobicContact CB-CE1 4.03Å; R86-F124 HydrophobicContact CG-CE1 4.02Å; R86-F124 HydrophobicContact CG-CZ 4.14Å; R86-N128 HydrophobicContact CB-CB 4.38Å; R86-N128 WeakPolarHBondContact CD-OD1 3.32Å; R86-N128 PolarHBondContact NH1-OD1 3.34Å; R86-T346 PolarHBondContact NE-O 3.2Å; R86-T346 PolarHBondContact NH2-O 3.48Å; R86-N348 PolarHBondContact NH2-O 2.92Å; R86-D351 IonicContact CZ-OD2 3.3Å; R86-D351 VanDerWaalsContact CZ-OD2 3.3Å; R86-D351 IonicContact NH1-OD2 2.93Å; R86-D351 PolarHBondContact NH1-OD2 2.79Å; R86-D351 IonicContact NH2-OD2 2.73Å; R86-D351 PolarHBondContact NH2-OD2 3.12Å
87I88.8Confident87Confident0 Ų024.2 Ų24.20%012%0.122CC..Hα-helixtrans-64.6-41.6176.4-67.3161.6000110.9Y83 I84 I85 F89 I90 V125 N128 F129 L132 I255 L314 F318Y83-I87 VanDerWaalsContact O-CG1 3.29Å; Y83-I87 WeakPolarHBondContact O-CG1 3.47Å; Y83-I87 PolarHBondContact O-N 2.78Å; I84-I87 WeakPolarHBondContact O-CB 3.29Å; I84-I87 PolarHBondContact O-N 2.89Å; I85-I87 VanDerWaalsContact C-N 3.34Å; I85-I87 PolarHBondContact O-N 3.24Å; I87-F89 PolarHBondContact O-N 3.25Å; I87-I90 WeakPolarHBondContact O-CB 3.37Å; I87-I90 WeakPolarHBondContact O-CG2 3.35Å; I87-I90 PolarHBondContact O-N 3.05Å; I87-I90 VanDerWaalsContact O-N 3.07Å; I87-V125 HydrophobicContact CG1-CG1 4.4Å; I87-V125 HydrophobicContact CG2-CG1 4.31Å; I87-N128 HydrophobicContact CG1-CB 4.07Å; I87-F129 HydrophobicContact CD1-CB 4.04Å; I87-F129 HydrophobicContact CD1-CD2 4.22Å; I87-L132 HydrophobicContact CD1-CD2 3.84Å; I87-I255 HydrophobicContact CD1-CD1 4.16Å; I87-I255 HydrophobicContact CG2-CD1 3.67Å; I87-I255 HydrophobicContact CG2-CG1 3.92Å; I87-L314 HydrophobicContact CG2-CD2 4.46Å; I87-F318 HydrophobicContact CG2-CE2 4.31Å
88L89.5Confident87.3Confident0 Ų023.2 Ų23.20%012%0.116CC..Hα-helixtrans-60-29.9179.8-91.466.3000112.5T64 Q67 I68 I84 I85 I90 V91 P92 F318T64-L88 HydrophobicContact CG2-CB 4.37Å; T64-L88 VanDerWaalsContact CG2-O 3.31Å; T64-L88 WeakPolarHBondContact CG2-O 3.32Å; Q67-L88 HydrophobicContact CB-CD2 4.03Å; Q67-L88 HydrophobicContact CG-CD2 3.53Å; I68-L88 HydrophobicContact CD1-CB 4.33Å; I68-L88 HydrophobicContact CG1-CB 4Å; I68-L88 HydrophobicContact CG1-CD2 3.92Å; I84-L88 HydrophobicContact CG2-CD1 3.58Å; I84-L88 WeakPolarHBondContact O-CD1 2.99Å; I84-L88 PolarHBondContact O-N 3.22Å; I85-L88 WeakPolarHBondContact O-CB 3.46Å; I85-L88 PolarHBondContact O-N 2.81Å; L88-I90 PolarHBondContact O-N 3.19Å; L88-V91 PolarHBondContact O-N 3.24Å; L88-P92 VanDerWaalsContact O-CD 3.29Å; L88-P92 WeakPolarHBondContact O-CD 3.22Å; L88-F318 HydrophobicContact CD1-CB 4.2Å; L88-F318 HydrophobicContact CD1-CD2 4.07Å; L88-F318 HydrophobicContact CD1-CG 4.26Å
89F89.7Confident87.8Confident48 Ų4822.9 Ų22.921%0.21111%0.107CC..THydrogen-bonded Turntrans-67.7-7.8177.8-87.4-68.9000114.1I68 I85 R86 I87 V91 P92 V93 Y121 L343 I347I68-F89 HydrophobicContact CD1-CD1 4.04Å; I68-F89 HydrophobicContact CD1-CD2 4.21Å; I68-F89 HydrophobicContact CD1-CE1 3.84Å; I68-F89 HydrophobicContact CD1-CE2 4.02Å; I68-F89 HydrophobicContact CD1-CG 4.19Å; I68-F89 HydrophobicContact CD1-CZ 3.81Å; I68-F89 HydrophobicContact CG2-CE2 4.48Å; I68-F89 HydrophobicContact CG2-CZ 4.38Å; I85-F89 HydrophobicContact CG2-CD2 3.94Å; I85-F89 HydrophobicContact CG2-CE2 3.59Å; I85-F89 WeakPolarHBondContact O-CD2 3.22Å; I85-F89 PolarHBondContact O-N 3.4Å; R86-F89 PolarHBondContact O-N 3.44Å; I87-F89 PolarHBondContact O-N 3.25Å; F89-V91 VanDerWaalsContact C-N 3.32Å; F89-V91 PolarHBondContact O-N 3.49Å; F89-P92 HydrophobicContact CB-CG 4.47Å; F89-P92 HydrophobicContact CD1-CG 3.85Å; F89-P92 VanDerWaalsContact O-CD 3.26Å; F89-P92 WeakPolarHBondContact O-CD 3.34Å; F89-P92 VanDerWaalsContact O-CG 3.27Å; F89-P92 WeakPolarHBondContact O-CG 3.34Å; F89-V93 VanDerWaalsContact O-CG2 3.26Å; F89-V93 WeakPolarHBondContact O-CG2 3.39Å; F89-V93 PolarHBondContact O-N 2.74Å; F89-Y121 WeakPolarHBondContact CB-OH 3.4Å; F89-L343 HydrophobicContact CE2-CD1 3.81Å; F89-L343 HydrophobicContact CZ-CD1 3.8Å; F89-I347 HydrophobicContact CE2-CD1 3.82Å; F89-I347 HydrophobicContact CE2-CG1 4.13Å; F89-I347 HydrophobicContact CZ-CD1 3.99Å
90I88.6Confident88Confident5 Ų519.8 Ų19.83%0.0269%0.091CC..Hα-helixtrans-59.6-43.4173.1-165174.3000112I87 L88 V93 Y94 Y121 V125 V258 I259 L314I87-I90 WeakPolarHBondContact O-CB 3.37Å; I87-I90 WeakPolarHBondContact O-CG2 3.35Å; I87-I90 PolarHBondContact O-N 3.05Å; I87-I90 VanDerWaalsContact O-N 3.07Å; L88-I90 PolarHBondContact O-N 3.19Å; I90-V93 PolarHBondContact O-N 3.49Å; I90-Y94 HydrophobicContact CD1-CE2 4.19Å; I90-Y94 HydrophobicContact CG1-CD2 3.64Å; I90-Y94 HydrophobicContact CG1-CE2 3.66Å; I90-Y94 HydrophobicContact CG1-CG 4.37Å; I90-Y94 WeakPolarHBondContact O-CB 3.33Å; I90-Y94 VanDerWaalsContact O-CD2 3.26Å; I90-Y94 WeakPolarHBondContact O-CD2 3.3Å; I90-Y94 PolarHBondContact O-N 3.33Å; I90-Y121 HydrophobicContact CB-CD1 4.2Å; I90-Y121 HydrophobicContact CB-CE1 3.82Å; I90-Y121 HydrophobicContact CG1-CD1 4.1Å; I90-Y121 HydrophobicContact CG1-CE1 4.24Å; I90-V125 HydrophobicContact CB-CG2 3.92Å; I90-V125 HydrophobicContact CD1-CB 4.38Å; I90-V125 HydrophobicContact CD1-CG1 4.18Å; I90-V125 HydrophobicContact CD1-CG2 4.05Å; I90-V125 HydrophobicContact CG1-CG2 4.13Å; I90-V258 HydrophobicContact CD1-CG1 4.2Å; I90-I259 HydrophobicContact CD1-CG1 4.23Å; I90-L314 HydrophobicContact CG2-CD1 4.14Å
91V90.4Very high87.9Confident0 Ų018.5 Ų18.50%09%0.085CC..Hα-helixtrans-61.3-54.2-177.8173.90000111.7A60 T64 L88 F89 V93 Y94 A95 M307 A310 A311 L314A60-V91 HydrophobicContact CB-CG1 4.05Å; T64-V91 HydrophobicContact CG2-CB 4.39Å; T64-V91 WeakPolarHBondContact OG1-CG1 2.94Å; L88-V91 PolarHBondContact O-N 3.24Å; F89-V91 VanDerWaalsContact C-N 3.32Å; F89-V91 PolarHBondContact O-N 3.49Å; V91-V93 PolarHBondContact O-N 3.21Å; V91-Y94 PolarHBondContact O-N 2.99Å; V91-A95 WeakPolarHBondContact O-CB 3.33Å; V91-A95 PolarHBondContact O-N 3.18Å; V91-M307 HydrophobicContact CG1-CB 4.27Å; V91-M307 HydrophobicContact CG2-SD 4.48Å; V91-A310 HydrophobicContact CG2-CB 4.36Å; V91-A311 HydrophobicContact CG1-CB 3.94Å; V91-L314 HydrophobicContact CG2-CD1 3.42Å; V91-L314 VanDerWaalsContact CG2-CD1 3.42Å
92P90.8Very high87.8Confident20 Ų2018.8 Ų18.813%0.139%0.086CC..Hα-helixtrans-65.1-37.9-178.522.9-34.1000112.8L61 T64 L88 F89 F96L61-P92 VanDerWaalsContact CD2-CA 3.47Å; L61-P92 HydrophobicContact CD2-CB 3.37Å; T64-P92 HydrophobicContact CG2-CG 4.33Å; L88-P92 VanDerWaalsContact O-CD 3.29Å; L88-P92 WeakPolarHBondContact O-CD 3.22Å; F89-P92 HydrophobicContact CB-CG 4.47Å; F89-P92 HydrophobicContact CD1-CG 3.85Å; F89-P92 VanDerWaalsContact O-CD 3.26Å; F89-P92 WeakPolarHBondContact O-CD 3.34Å; F89-P92 VanDerWaalsContact O-CG 3.27Å; F89-P92 WeakPolarHBondContact O-CG 3.34Å; P92-F96 WeakPolarHBondContact O-CB 3.28Å; P92-F96 PolarHBondContact O-N 2.91Å
93V89.2Confident87.5Confident33 Ų3319.6 Ų19.620%0.29%0.094CC..Hα-helixtrans-61.7-53.4176.2172.30000109.8F89 I90 V91 D97 Y121F89-V93 VanDerWaalsContact O-CG2 3.26Å; F89-V93 WeakPolarHBondContact O-CG2 3.39Å; F89-V93 PolarHBondContact O-N 2.74Å; I90-V93 PolarHBondContact O-N 3.49Å; V91-V93 PolarHBondContact O-N 3.21Å; V93-D97 WeakPolarHBondContact CG1-OD2 3.41Å; V93-D97 WeakPolarHBondContact O-CB 3.48Å; V93-D97 PolarHBondContact O-N 3.36Å; V93-Y121 HydrophobicContact CB-CG 4.47Å; V93-Y121 HydrophobicContact CG1-CD2 4.4Å; V93-Y121 HydrophobicContact CG1-CG 4.11Å; V93-Y121 HydrophobicContact CG2-CD2 4.22Å; V93-Y121 HydrophobicContact CG2-CE2 4.15Å; V93-Y121 HydrophobicContact CG2-CG 4.48Å
94Y88.4Confident86.9Confident8 Ų823.3 Ų23.33%0.03111%0.111CC..Hα-helixtrans-67.6-41.7-177.6-84.9-118.6000112.9I90 V91 S98 R118 Y121 E122 I303 M307I90-Y94 HydrophobicContact CD1-CE2 4.19Å; I90-Y94 HydrophobicContact CG1-CD2 3.64Å; I90-Y94 HydrophobicContact CG1-CE2 3.66Å; I90-Y94 HydrophobicContact CG1-CG 4.37Å; I90-Y94 WeakPolarHBondContact O-CB 3.33Å; I90-Y94 VanDerWaalsContact O-CD2 3.26Å; I90-Y94 WeakPolarHBondContact O-CD2 3.3Å; I90-Y94 PolarHBondContact O-N 3.33Å; V91-Y94 PolarHBondContact O-N 2.99Å; Y94-S98 WeakPolarHBondContact O-CB 3.4Å; Y94-S98 PolarHBondContact O-N 3.34Å; Y94-S98 PolarHBondContact O-OG 3.44Å; Y94-R118 HydrophobicContact CE1-CB 4.39Å; Y94-R118 HydrophobicContact CE2-CB 4.25Å; Y94-R118 PolarHBondContact OH-O 3.33Å; Y94-Y121 HydrophobicContact CE2-CD1 4.34Å; Y94-E122 VanDerWaalsContact OH-CB 3.27Å; Y94-E122 WeakPolarHBondContact OH-CB 3.48Å; Y94-I303 HydrophobicContact CD1-CG2 4.33Å; Y94-M307 HydrophobicContact CD1-CE 4.03Å; Y94-M307 HydrophobicContact CG-CE 4.31Å; Y94-M307 HydrophobicContact CG-SD 4.35Å
95A90Very high85.9Confident0 Ų024.2 Ų24.20%012%0.116CC..Hα-helixtrans-66.2-44.5-179.700000111.1V57 V91 W99 M307V57-A95 HydrophobicContact CB-CB 4.46Å; V57-A95 HydrophobicContact CG1-CB 4.01Å; V57-A95 HydrophobicContact CG2-CB 4.24Å; V91-A95 WeakPolarHBondContact O-CB 3.33Å; V91-A95 PolarHBondContact O-N 3.18Å; A95-W99 VanDerWaalsContact O-CB 3.23Å; A95-W99 WeakPolarHBondContact O-CB 3.4Å; A95-W99 PolarHBondContact O-N 3.17Å; A95-M307 HydrophobicContact CB-CB 3.88Å; A95-M307 HydrophobicContact CB-CG 4.21Å
96F89.1Confident84.5Confident93 Ų9327 Ų2741%0.40814%0.135SC..Hα-helixtrans-69.1-47.8179.3-173.1-102.1000111.7P92 S98 W99 L100P92-F96 WeakPolarHBondContact O-CB 3.28Å; P92-F96 PolarHBondContact O-N 2.91Å; F96-S98 PolarHBondContact O-N 2.9Å; F96-W99 HydrophobicContact CD2-CE3 4.35Å; F96-W99 HydrophobicContact CE2-CE3 4.43Å; F96-W99 HydrophobicContact CE2-CZ3 4.39Å; F96-W99 PolarHBondContact O-N 3.22Å; F96-L100 HydrophobicContact CE1-CD2 3.96Å; F96-L100 HydrophobicContact CZ-CD2 4.45Å; F96-L100 VanDerWaalsContact O-CB 3.26Å; F96-L100 WeakPolarHBondContact O-CB 3.29Å; F96-L100 PolarHBondContact O-N 2.95Å
97D88Confident83.2Confident17 Ų1730.8 Ų30.89%0.09116%0.156CC..Hα-helixtrans-63.5-41.2-179.9-71.3-15.2000111.5V93 L100 S101 R118V93-D97 WeakPolarHBondContact CG1-OD2 3.41Å; V93-D97 WeakPolarHBondContact O-CB 3.48Å; V93-D97 PolarHBondContact O-N 3.36Å; D97-L100 PolarHBondContact O-N 3.28Å; D97-S101 VanDerWaalsContact O-CB 3.23Å; D97-S101 WeakPolarHBondContact O-CB 3.06Å; D97-S101 PolarHBondContact O-N 3.07Å; D97-R118 HydrophobicContact CB-CG 3.81Å
98S86.8Confident81.8Confident0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-69.1-38.7178.3-520000111.6Y94 F96 S101 L102 R118 I303Y94-S98 WeakPolarHBondContact O-CB 3.4Å; Y94-S98 PolarHBondContact O-N 3.34Å; Y94-S98 PolarHBondContact O-OG 3.44Å; F96-S98 PolarHBondContact O-N 2.9Å; S98-S101 PolarHBondContact O-N 2.88Å; S98-L102 VanDerWaalsContact O-CG 3.3Å; S98-L102 WeakPolarHBondContact O-CG 3.37Å; S98-L102 PolarHBondContact O-N 2.77Å; S98-R118 PolarHBondContact OG-NH1 3.45Å; S98-I303 WeakPolarHBondContact OG-CG2 3.29Å
99W87.8Confident80.5Confident48 Ų4839.4 Ų39.418%0.18220%0.198CC..Hα-helixtrans-65.6-44.1174.8-176.753.1000112V57 W58 A95 F96 S101 L102 L103V57-W99 HydrophobicContact CB-CB 4.4Å; V57-W99 HydrophobicContact CB-CG 4.49Å; V57-W99 HydrophobicContact CG1-CB 4.08Å; V57-W99 HydrophobicContact CG1-CG 4.33Å; V57-W99 HydrophobicContact CG2-CB 3.87Å; V57-W99 HydrophobicContact CG2-CG 4.28Å; W58-W99 AromaticContact NE1-CH2 3.86Å; A95-W99 VanDerWaalsContact O-CB 3.23Å; A95-W99 WeakPolarHBondContact O-CB 3.4Å; A95-W99 PolarHBondContact O-N 3.17Å; F96-W99 HydrophobicContact CD2-CE3 4.35Å; F96-W99 HydrophobicContact CE2-CE3 4.43Å; F96-W99 HydrophobicContact CE2-CZ3 4.39Å; F96-W99 PolarHBondContact O-N 3.22Å; W99-S101 VanDerWaalsContact C-N 3.32Å; W99-S101 PolarHBondContact O-N 2.91Å; W99-L102 WeakPolarHBondContact O-CB 3.42Å; W99-L102 PolarHBondContact O-N 2.9Å; W99-L103 HydrophobicContact CD2-CD1 4.17Å; W99-L103 HydrophobicContact CH2-CD1 4.22Å; W99-L103 HydrophobicContact CZ2-CD1 3.85Å; W99-L103 WeakPolarHBondContact O-CG 3.41Å; W99-L103 PolarHBondContact O-N 3.49Å; W99-L103 VanDerWaalsContact O-N 3.07Å
100L85.7Confident79.4Confident34 Ų3443.2 Ų43.218%0.17821%0.212CC..Hα-helixtrans-64-41.6177.6-164.862.1000110.9F96 D97 L102 L103 F104 F114F96-L100 HydrophobicContact CE1-CD2 3.96Å; F96-L100 HydrophobicContact CZ-CD2 4.45Å; F96-L100 VanDerWaalsContact O-CB 3.26Å; F96-L100 WeakPolarHBondContact O-CB 3.29Å; F96-L100 PolarHBondContact O-N 2.95Å; D97-L100 PolarHBondContact O-N 3.28Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 PolarHBondContact O-N 2.99Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-F104 HydrophobicContact CD1-CD2 3.74Å; L100-F104 HydrophobicContact CD1-CE2 3.46Å; L100-F104 VanDerWaalsContact CD1-CE2 3.46Å; L100-F104 HydrophobicContact CG-CD2 3.97Å; L100-F104 HydrophobicContact CG-CE2 4.15Å; L100-F104 WeakPolarHBondContact O-CD2 3.31Å; L100-F104 PolarHBondContact O-N 3.34Å; L100-F114 HydrophobicContact CB-CZ 4.49Å; L100-F114 HydrophobicContact CD2-CD1 4.32Å; L100-F114 HydrophobicContact CD2-CE1 3.36Å; L100-F114 HydrophobicContact CD2-CE2 4.4Å; L100-F114 HydrophobicContact CD2-CZ 3.4Å; L100-F114 VanDerWaalsContact CD2-CZ 3.4Å; L100-F114 HydrophobicContact CG-CE1 4.08Å; L100-F114 HydrophobicContact CG-CE2 4.31Å; L100-F114 HydrophobicContact CG-CZ 3.74Å
101S82Confident78.5Confident4 Ų444.5 Ų44.53%0.02822%0.217CC..Hα-helixtrans-62.1-35.7174.3-179.10000112.5D97 S98 W99 I105 Y111 N300D97-S101 VanDerWaalsContact O-CB 3.23Å; D97-S101 WeakPolarHBondContact O-CB 3.06Å; D97-S101 PolarHBondContact O-N 3.07Å; S98-S101 PolarHBondContact O-N 2.88Å; W99-S101 VanDerWaalsContact C-N 3.32Å; W99-S101 PolarHBondContact O-N 2.91Å; S101-I105 WeakPolarHBondContact O-CG1 3.38Å; S101-I105 PolarHBondContact O-N 3.25Å; S101-Y111 WeakPolarHBondContact OG-CD2 3.49Å; S101-N300 WeakPolarHBondContact CB-ND2 3.31Å; S101-N300 PolarHBondContact OG-ND2 3.14Å
102L80.5Confident77.5Confident5 Ų544.9 Ų44.93%0.02622%0.219CC..Hα-helixtrans-67.7-36.4174-72.4171.4000112.8L44 S98 W99 L100 F104 I105 G297 N300 F301L44-L102 HydrophobicContact CD2-CD2 4.45Å; S98-L102 VanDerWaalsContact O-CG 3.3Å; S98-L102 WeakPolarHBondContact O-CG 3.37Å; S98-L102 PolarHBondContact O-N 2.77Å; W99-L102 WeakPolarHBondContact O-CB 3.42Å; W99-L102 PolarHBondContact O-N 2.9Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 PolarHBondContact O-N 2.99Å; L102-F104 VanDerWaalsContact C-N 3.34Å; L102-I105 HydrophobicContact CD2-CD1 3.94Å; L102-I105 WeakPolarHBondContact O-CD1 3.37Å; L102-I105 WeakPolarHBondContact O-CG1 3.22Å; L102-G297 VanDerWaalsContact CD2-O 3.23Å; L102-G297 WeakPolarHBondContact CD2-O 3.41Å; L102-N300 HydrophobicContact CD2-CB 3.96Å; L102-N300 HydrophobicContact CG-CB 3.96Å; L102-F301 HydrophobicContact CD1-CB 4.25Å; L102-F301 HydrophobicContact CD1-CD2 4.36Å; L102-F301 HydrophobicContact CD2-CB 4.19Å
103L79.6Confident76.8Confident69 Ų6949.8 Ų49.836%0.36124%0.236SC..Hα-helixtrans-71.7-29.9178.7-68.6177.4000112.5W99 L100W99-L103 HydrophobicContact CD2-CD1 4.17Å; W99-L103 HydrophobicContact CH2-CD1 4.22Å; W99-L103 HydrophobicContact CZ2-CD1 3.85Å; W99-L103 WeakPolarHBondContact O-CG 3.41Å; W99-L103 PolarHBondContact O-N 3.49Å; W99-L103 VanDerWaalsContact O-N 3.07Å; L100-L103 PolarHBondContact O-N 2.94Å
104F75.4Confident76.4Confident103 Ų10350 Ų5045%0.45223%0.234SC..THydrogen-bonded Turntrans-106.724-177.2-69.6-70.6000114.1L100 L102 S106 N107L100-F104 HydrophobicContact CD1-CD2 3.74Å; L100-F104 HydrophobicContact CD1-CE2 3.46Å; L100-F104 VanDerWaalsContact CD1-CE2 3.46Å; L100-F104 HydrophobicContact CG-CD2 3.97Å; L100-F104 HydrophobicContact CG-CE2 4.15Å; L100-F104 WeakPolarHBondContact O-CD2 3.31Å; L100-F104 PolarHBondContact O-N 3.34Å; L102-F104 VanDerWaalsContact C-N 3.34Å; F104-S106 PolarHBondContact O-N 2.97Å; F104-S106 VanDerWaalsContact O-N 3.12Å; F104-N107 PolarHBondContact O-N 3.24Å; F104-N107 VanDerWaalsContact O-N 3.11Å
105I65.8Low75.8Confident19 Ų1951.1 Ų51.110%0.09724%0.24CC..THydrogen-bonded Turntrans-52.7-33.7177.7-75.7172.2000112.5S101 L102 N107S101-I105 WeakPolarHBondContact O-CG1 3.38Å; S101-I105 PolarHBondContact O-N 3.25Å; L102-I105 HydrophobicContact CD2-CD1 3.94Å; L102-I105 WeakPolarHBondContact O-CD1 3.37Å; L102-I105 WeakPolarHBondContact O-CG1 3.22Å; I105-N107 PolarHBondContact O-N 3.33Å
106S57.9Low75.3Confident58 Ų5851.8 Ų51.841%0.40625%0.245SC..THydrogen-bonded Turntrans-67.5-15.2-177.4-56.90000114.4F104 E285F104-S106 PolarHBondContact O-N 2.97Å; F104-S106 VanDerWaalsContact O-N 3.12Å; S106-E285 PolarHBondContact OG-OE2 3.02Å
107N64.2Low75Confident83 Ų8351 Ų5144%0.44425%0.248SC..  trans-108.295.2178.2-69.7-24.8000110.7F104 I105 Q109 Y110F104-N107 PolarHBondContact O-N 3.24Å; F104-N107 VanDerWaalsContact O-N 3.11Å; I105-N107 PolarHBondContact O-N 3.33Å; N107-Q109 PolarHBondContact O-N 3.33Å; N107-Y110 HydrophobicContact CB-CD2 3.53Å; N107-Y110 HydrophobicContact CB-CE2 4.02Å; N107-Y110 PolarHBondContact O-N 3.13Å; N107-Y110 VanDerWaalsContact O-N 3.14Å
108D59Low74.8Confident65 Ų6550.7 Ų50.735%0.34825%0.246SC..THydrogen-bonded Turntrans-49.8-20.1-175.6-85.6-27.9000115.9T293D108-T293 PolarHBondContact OD1-OG1 3.37Å
109Q61.3Low74.5Confident115 Ų11553.5 Ų53.554%0.53726%0.26SS..THydrogen-bonded Turntrans-90.1-23.5-175.6-59.3-59.7-63.900114.2N107 Y113N107-Q109 PolarHBondContact O-N 3.33Å; Q109-Y113 WeakPolarHBondContact O-CD2 2.99Å; Q109-Y113 VanDerWaalsContact O-CE2 3.28Å; Q109-Y113 WeakPolarHBondContact O-CE2 3.28Å
110Y67.1Low74.3Confident129 Ų12953.5 Ų53.551%0.50627%0.267SS..Hα-helixtrans-81.7-28.6-172.7-72.5-78.5000113.7N107 V112 Y113 F114N107-Y110 HydrophobicContact CB-CD2 3.53Å; N107-Y110 HydrophobicContact CB-CE2 4.02Å; N107-Y110 PolarHBondContact O-N 3.13Å; N107-Y110 VanDerWaalsContact O-N 3.14Å; Y110-V112 VanDerWaalsContact C-N 3.32Å; Y110-V112 PolarHBondContact O-N 3.18Å; Y110-Y113 PolarHBondContact O-N 3.45Å; Y110-F114 WeakPolarHBondContact O-CD2 3.08Å; Y110-F114 PolarHBondContact O-N 3.21Å
111Y69.9Low74.4Confident32 Ų3253.7 Ų53.713%0.12527%0.266CS..Hα-helixtrans-52.8-47.4179.6166.4-109.7000112.3S101 Y113 F114 D115 A296S101-Y111 WeakPolarHBondContact OG-CD2 3.49Å; Y111-Y113 VanDerWaalsContact C-N 3.27Å; Y111-Y113 PolarHBondContact O-N 3.02Å; Y111-F114 PolarHBondContact O-N 2.87Å; Y111-F114 VanDerWaalsContact O-N 3.12Å; Y111-D115 WeakPolarHBondContact CD2-OD1 3.2Å; Y111-D115 WeakPolarHBondContact CE2-OD1 3.17Å; Y111-D115 VanDerWaalsContact CE2-OD2 3.31Å; Y111-D115 WeakPolarHBondContact CE2-OD2 3.41Å; Y111-D115 VanDerWaalsContact CZ-CG 3.41Å; Y111-D115 PolarHBondContact O-N 3.36Å; Y111-D115 PolarHBondContact OH-OD2 3.1Å; Y111-A296 HydrophobicContact CD1-CB 4.43Å; Y111-A296 HydrophobicContact CD2-CB 4.17Å; Y111-A296 HydrophobicContact CE1-CB 3.73Å; Y111-A296 HydrophobicContact CE2-CB 3.44Å; Y111-A296 VanDerWaalsContact CE2-CB 3.44Å; Y111-A296 VanDerWaalsContact OH-CB 3.28Å; Y111-A296 WeakPolarHBondContact OH-CB 3.28Å
112V69.9Low74.5Confident8 Ų853.9 Ų53.95%0.04827%0.266CS..Hα-helixtrans-64.4-30.8-176.7-176.50000113Y110 S116 T194 Q198Y110-V112 VanDerWaalsContact C-N 3.32Å; Y110-V112 PolarHBondContact O-N 3.18Å; V112-S116 WeakPolarHBondContact O-CB 3.32Å; V112-S116 PolarHBondContact O-N 3.02Å; V112-S116 PolarHBondContact O-OG 3.07Å; V112-T194 HydrophobicContact CG1-CG2 4.31Å; V112-Q198 VanDerWaalsContact CG1-OE1 3.28Å
113Y75.5Confident74.8Confident123 Ų12353.7 Ų53.748%0.48227%0.266SS..Hα-helixtrans-69.6-42.6175.6-66.4-80.1000111.7Q109 Y110 Y111 D115 S116 V117Q109-Y113 WeakPolarHBondContact O-CD2 2.99Å; Q109-Y113 VanDerWaalsContact O-CE2 3.28Å; Q109-Y113 WeakPolarHBondContact O-CE2 3.28Å; Y110-Y113 PolarHBondContact O-N 3.45Å; Y111-Y113 VanDerWaalsContact C-N 3.27Å; Y111-Y113 PolarHBondContact O-N 3.02Å; Y113-D115 VanDerWaalsContact C-N 3.32Å; Y113-S116 PolarHBondContact O-N 3.15Å; Y113-V117 WeakPolarHBondContact O-CG2 3.4Å; Y113-V117 PolarHBondContact O-N 3.38Å; Y113-V117 VanDerWaalsContact O-N 3.16Å
114F79.6Confident75.1Confident38 Ų3851.7 Ų51.717%0.16725%0.254CS..Hα-helixtrans-64.8-39.6176.7-65.2-58000111.3L100 Y110 Y111 S116 V117 R118L100-F114 HydrophobicContact CB-CZ 4.49Å; L100-F114 HydrophobicContact CD2-CD1 4.32Å; L100-F114 HydrophobicContact CD2-CE1 3.36Å; L100-F114 HydrophobicContact CD2-CE2 4.4Å; L100-F114 HydrophobicContact CD2-CZ 3.4Å; L100-F114 VanDerWaalsContact CD2-CZ 3.4Å; L100-F114 HydrophobicContact CG-CE1 4.08Å; L100-F114 HydrophobicContact CG-CE2 4.31Å; L100-F114 HydrophobicContact CG-CZ 3.74Å; Y110-F114 WeakPolarHBondContact O-CD2 3.08Å; Y110-F114 PolarHBondContact O-N 3.21Å; Y111-F114 PolarHBondContact O-N 2.87Å; Y111-F114 VanDerWaalsContact O-N 3.12Å; F114-S116 PolarHBondContact O-N 3.28Å; F114-V117 PolarHBondContact O-N 3.47Å; F114-R118 WeakPolarHBondContact O-CG 3.47Å; F114-R118 PolarHBondContact O-N 2.67Å; F114-R118 VanDerWaalsContact O-N 3.09Å
115D76.2Confident75.6Confident30 Ų3046.8 Ų46.816%0.1623%0.233CC..Hα-helixtrans-61.1-45.3174.7-79.236.5000111.8Y111 Y113 V117 R118 D119Y111-D115 WeakPolarHBondContact CD2-OD1 3.2Å; Y111-D115 WeakPolarHBondContact CE2-OD1 3.17Å; Y111-D115 VanDerWaalsContact CE2-OD2 3.31Å; Y111-D115 WeakPolarHBondContact CE2-OD2 3.41Å; Y111-D115 VanDerWaalsContact CZ-CG 3.41Å; Y111-D115 PolarHBondContact O-N 3.36Å; Y111-D115 PolarHBondContact OH-OD2 3.1Å; Y113-D115 VanDerWaalsContact C-N 3.32Å; D115-V117 VanDerWaalsContact C-N 3.28Å; D115-V117 PolarHBondContact O-N 2.89Å; D115-R118 VanDerWaalsContact CG-NH2 3.29Å; D115-R118 PolarHBondContact O-N 3.31Å; D115-R118 IonicContact OD1-CZ 2.89Å; D115-R118 IonicContact OD1-NE 3.17Å; D115-R118 IonicContact OD1-NH2 3.6Å; D115-R118 PolarHBondContact OD1-NH2 3.47Å; D115-R118 IonicContact OD2-NH2 2.94Å; D115-D119 VanDerWaalsContact O-CB 3.29Å; D115-D119 WeakPolarHBondContact O-CB 3.46Å; D115-D119 PolarHBondContact O-N 3.45Å
116S80.3Confident76.6Confident15 Ų1546 Ų4611%0.10523%0.229CC..Hα-helixtrans-59.2-38.3178-62.50000112.5V112 Y113 F114 C120V112-S116 WeakPolarHBondContact O-CB 3.32Å; V112-S116 PolarHBondContact O-N 3.02Å; V112-S116 PolarHBondContact O-OG 3.07Å; Y113-S116 PolarHBondContact O-N 3.15Å; F114-S116 PolarHBondContact O-N 3.28Å; S116-C120 PolarHBondContact O-N 2.79Å; S116-C120 VanDerWaalsContact O-N 3.09Å; S116-C120 PolarHBondContact O-SG 3.3Å
117V82.5Confident78Confident77 Ų7743.3 Ų43.347%0.46721%0.21SC..Hα-helixtrans-67.6-49177.2172.20000110.9Y113 F114 D115 D119 C120 Y121Y113-V117 WeakPolarHBondContact O-CG2 3.4Å; Y113-V117 PolarHBondContact O-N 3.38Å; Y113-V117 VanDerWaalsContact O-N 3.16Å; F114-V117 PolarHBondContact O-N 3.47Å; D115-V117 VanDerWaalsContact C-N 3.28Å; D115-V117 PolarHBondContact O-N 2.89Å; V117-D119 VanDerWaalsContact C-N 3.27Å; V117-D119 PolarHBondContact O-N 2.78Å; V117-C120 PolarHBondContact O-N 2.91Å; V117-Y121 PolarHBondContact O-N 2.93Å
118R83Confident79.1Confident10 Ų1039.3 Ų39.34%0.03819%0.188CC..Hα-helixtrans-57.3-44.1176.8-67.8-174.1-66.4170.63.1111.1Y94 D97 S98 F114 D115 C120 Y121 E122 N300Y94-R118 HydrophobicContact CE1-CB 4.39Å; Y94-R118 HydrophobicContact CE2-CB 4.25Å; Y94-R118 PolarHBondContact OH-O 3.33Å; D97-R118 HydrophobicContact CB-CG 3.81Å; S98-R118 PolarHBondContact OG-NH1 3.45Å; F114-R118 WeakPolarHBondContact O-CG 3.47Å; F114-R118 PolarHBondContact O-N 2.67Å; F114-R118 VanDerWaalsContact O-N 3.09Å; D115-R118 VanDerWaalsContact CG-NH2 3.29Å; D115-R118 PolarHBondContact O-N 3.31Å; D115-R118 IonicContact OD1-CZ 2.89Å; D115-R118 IonicContact OD1-NE 3.17Å; D115-R118 IonicContact OD1-NH2 3.6Å; D115-R118 PolarHBondContact OD1-NH2 3.47Å; D115-R118 IonicContact OD2-NH2 2.94Å; R118-C120 PolarHBondContact O-N 2.86Å; R118-Y121 WeakPolarHBondContact O-CB 3.11Å; R118-Y121 PolarHBondContact O-N 3.41Å; R118-Y121 VanDerWaalsContact O-N 3.14Å; R118-E122 PolarHBondContact O-N 3.06Å; R118-N300 VanDerWaalsContact CZ-OD1 3.24Å; R118-N300 PolarHBondContact NH1-OD1 3.44Å; R118-N300 PolarHBondContact NH2-OD1 2.85Å
119D80.8Confident80.4Confident58 Ų5836.8 Ų36.831%0.3117%0.174SC..Hα-helixtrans-60-47.9178.5-89.8-20.9000112.9D115 V117 Y121 E122 A123 K187D115-D119 VanDerWaalsContact O-CB 3.29Å; D115-D119 WeakPolarHBondContact O-CB 3.46Å; D115-D119 PolarHBondContact O-N 3.45Å; V117-D119 VanDerWaalsContact C-N 3.27Å; V117-D119 PolarHBondContact O-N 2.78Å; D119-Y121 PolarHBondContact O-N 3.49Å; D119-E122 WeakPolarHBondContact O-CB 3.26Å; D119-E122 PolarHBondContact O-N 3.37Å; D119-A123 PolarHBondContact O-N 3.17Å; D119-K187 VanDerWaalsContact CA-CE 3.49Å; D119-K187 HydrophobicContact CB-CD 4.42Å; D119-K187 VanDerWaalsContact CB-CE 3.47Å; D119-K187 HydrophobicContact CB-CG 4.24Å; D119-K187 WeakPolarHBondContact O-CD 3.21Å; D119-K187 WeakPolarHBondContact O-CE 3.46Å; D119-K187 WeakPolarHBondContact O-CG 3.02Å; D119-K187 PolarHBondContact O-NZ 2.96Å; D119-K187 VanDerWaalsContact OD1-CE 3.22Å; D119-K187 WeakPolarHBondContact OD1-CE 3.03Å; D119-K187 IonicContact OD1-NZ 2.84Å; D119-K187 PolarHBondContact OD1-NZ 3.2Å; D119-K187 VanDerWaalsContact OD1-NZ 3.17Å
120C84.1Confident81.6Confident49 Ų4931.3 Ų31.333%0.33115%0.149SC..Hα-helixtrans-61.4-37.7176.4-680000111.6S116 V117 R118 A123 F124S116-C120 PolarHBondContact O-N 2.79Å; S116-C120 VanDerWaalsContact O-N 3.09Å; S116-C120 PolarHBondContact O-SG 3.3Å; V117-C120 PolarHBondContact O-N 2.91Å; R118-C120 PolarHBondContact O-N 2.86Å; C120-A123 PolarHBondContact O-N 3Å; C120-F124 PolarHBondContact O-N 2.71Å
121Y87.1Confident82.5Confident38 Ų3825.5 Ų25.515%0.14913%0.127CC..Hα-helixtrans-68.7-37.6-179.9-157.4-90.9000112.8R86 F89 I90 V93 Y94 V117 R118 D119 A123 F124 V125R86-Y121 PolarHBondContact O-OH 3.08Å; F89-Y121 WeakPolarHBondContact CB-OH 3.4Å; I90-Y121 HydrophobicContact CB-CD1 4.2Å; I90-Y121 HydrophobicContact CB-CE1 3.82Å; I90-Y121 HydrophobicContact CG1-CD1 4.1Å; I90-Y121 HydrophobicContact CG1-CE1 4.24Å; V93-Y121 HydrophobicContact CB-CG 4.47Å; V93-Y121 HydrophobicContact CG1-CD2 4.4Å; V93-Y121 HydrophobicContact CG1-CG 4.11Å; V93-Y121 HydrophobicContact CG2-CD2 4.22Å; V93-Y121 HydrophobicContact CG2-CE2 4.15Å; V93-Y121 HydrophobicContact CG2-CG 4.48Å; Y94-Y121 HydrophobicContact CE2-CD1 4.34Å; V117-Y121 PolarHBondContact O-N 2.93Å; R118-Y121 WeakPolarHBondContact O-CB 3.11Å; R118-Y121 PolarHBondContact O-N 3.41Å; R118-Y121 VanDerWaalsContact O-N 3.14Å; D119-Y121 PolarHBondContact O-N 3.49Å; Y121-A123 VanDerWaalsContact C-N 3.3Å; Y121-A123 PolarHBondContact O-N 2.93Å; Y121-F124 HydrophobicContact CE2-CD1 4.04Å; Y121-F124 WeakPolarHBondContact O-CB 3.46Å; Y121-F124 PolarHBondContact O-N 3.22Å; Y121-F124 VanDerWaalsContact O-N 3.16Å; Y121-V125 HydrophobicContact CD1-CG2 3.56Å; Y121-V125 HydrophobicContact CE1-CG2 3.27Å; Y121-V125 WeakPolarHBondContact O-CG2 3.48Å; Y121-V125 PolarHBondContact O-N 3.4Å
122E84.3Confident83.2Confident7 Ų724 Ų243%0.03312%0.121CC..Hα-helixtrans-55.4-47.7174.6-159.5-173.8110.300111.7Y94 R118 D119 F124 V125 I126 K187 Y221 I259Y94-E122 VanDerWaalsContact OH-CB 3.27Å; Y94-E122 WeakPolarHBondContact OH-CB 3.48Å; R118-E122 PolarHBondContact O-N 3.06Å; D119-E122 WeakPolarHBondContact O-CB 3.26Å; D119-E122 PolarHBondContact O-N 3.37Å; E122-F124 VanDerWaalsContact C-N 3.32Å; E122-F124 PolarHBondContact O-N 3.3Å; E122-V125 PolarHBondContact O-N 2.92Å; E122-I126 WeakPolarHBondContact O-CG1 3.4Å; E122-I126 PolarHBondContact O-N 3.44Å; E122-I126 VanDerWaalsContact O-N 3.09Å; E122-K187 VanDerWaalsContact CB-NZ 3.34Å; E122-K187 IonicContact OE1-NZ 3.32Å; E122-K187 PolarHBondContact OE1-NZ 2.97Å; E122-K187 IonicContact OE2-NZ 3.17Å; E122-K187 PolarHBondContact OE2-NZ 2.93Å; E122-Y221 PolarHBondContact OE1-OH 3.33Å; E122-I259 HydrophobicContact CG-CG1 4.36Å; E122-I259 HydrophobicContact CG-CG2 3.72Å
123A86.5Confident83.8Confident2 Ų224 Ų242%0.01712%0.122CC..Hα-helixtrans-58.3-48.2177.100000110.6D119 C120 Y121 V125 I126 Y127 F183 C184 K187D119-A123 PolarHBondContact O-N 3.17Å; C120-A123 PolarHBondContact O-N 3Å; Y121-A123 VanDerWaalsContact C-N 3.3Å; Y121-A123 PolarHBondContact O-N 2.93Å; A123-V125 VanDerWaalsContact C-N 3.3Å; A123-V125 PolarHBondContact O-N 3.26Å; A123-I126 PolarHBondContact O-N 3.18Å; A123-Y127 PolarHBondContact O-N 3.21Å; A123-Y127 VanDerWaalsContact O-N 3.14Å; A123-F183 HydrophobicContact CB-CD1 4.01Å; A123-F183 HydrophobicContact CB-CE1 3.9Å; A123-C184 HydrophobicContact CB-CB 4.39Å; A123-C184 PolarHBondContact O-SG 2.94Å; A123-K187 HydrophobicContact CB-CB 3.97Å; A123-K187 HydrophobicContact CB-CD 4.01Å; A123-K187 HydrophobicContact CB-CG 4.4Å
124F87Confident84.1Confident26 Ų2618.6 Ų18.611%0.11410%0.1CC..Hα-helixtrans-58-41.8177.4-174.3-117000112.2R86 C120 Y121 E122 Y127 N128 P349 M352R86-F124 HydrophobicContact CB-CE1 4.03Å; R86-F124 HydrophobicContact CG-CE1 4.02Å; R86-F124 HydrophobicContact CG-CZ 4.14Å; C120-F124 PolarHBondContact O-N 2.71Å; Y121-F124 HydrophobicContact CE2-CD1 4.04Å; Y121-F124 WeakPolarHBondContact O-CB 3.46Å; Y121-F124 PolarHBondContact O-N 3.22Å; Y121-F124 VanDerWaalsContact O-N 3.16Å; E122-F124 VanDerWaalsContact C-N 3.32Å; E122-F124 PolarHBondContact O-N 3.3Å; F124-Y127 PolarHBondContact O-N 3.24Å; F124-N128 VanDerWaalsContact CD1-ND2 3.26Å; F124-N128 WeakPolarHBondContact CD1-ND2 3.02Å; F124-N128 WeakPolarHBondContact CD2-ND2 3.09Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.44Å; F124-N128 VanDerWaalsContact CE2-ND2 3.28Å; F124-N128 WeakPolarHBondContact CE2-ND2 3.21Å; F124-N128 WeakPolarHBondContact CG-ND2 3.25Å; F124-N128 WeakPolarHBondContact CZ-ND2 3.2Å; F124-N128 PolarHBondContact O-N 2.88Å; F124-N128 PolarHBondContact O-ND2 2.8Å; F124-P349 HydrophobicContact CE2-CB 4.21Å; F124-M352 HydrophobicContact CD2-CE 4.44Å; F124-M352 HydrophobicContact CD2-SD 4.01Å
125V86.3Confident84.4Confident1 Ų119.7 Ų19.71%0.00611%0.106CC..Hα-helixtrans-65.6-43179.7172.40000111.9I87 I90 Y121 E122 A123 Y127 N128 F129 I255 I259I87-V125 HydrophobicContact CG1-CG1 4.4Å; I87-V125 HydrophobicContact CG2-CG1 4.31Å; I90-V125 HydrophobicContact CB-CG2 3.92Å; I90-V125 HydrophobicContact CD1-CB 4.38Å; I90-V125 HydrophobicContact CD1-CG1 4.18Å; I90-V125 HydrophobicContact CD1-CG2 4.05Å; I90-V125 HydrophobicContact CG1-CG2 4.13Å; Y121-V125 HydrophobicContact CD1-CG2 3.56Å; Y121-V125 HydrophobicContact CE1-CG2 3.27Å; Y121-V125 WeakPolarHBondContact O-CG2 3.48Å; Y121-V125 PolarHBondContact O-N 3.4Å; E122-V125 PolarHBondContact O-N 2.92Å; A123-V125 VanDerWaalsContact C-N 3.3Å; A123-V125 PolarHBondContact O-N 3.26Å; V125-Y127 VanDerWaalsContact C-N 3.3Å; V125-Y127 PolarHBondContact O-N 3.44Å; V125-N128 PolarHBondContact O-N 3.17Å; V125-F129 WeakPolarHBondContact O-CB 3.39Å; V125-F129 PolarHBondContact O-N 3.02Å; V125-I255 HydrophobicContact CG1-CG2 4.15Å; V125-I259 HydrophobicContact CG1-CD1 4.16Å
126I85.9Confident84.5Confident2 Ų219.3 Ų19.31%0.0110%0.103CC..Hα-helixtrans-60.6-43.2177.6-62-178.4000110.4E122 A123 F129 L130 T180 F183 L229 I259E122-I126 WeakPolarHBondContact O-CG1 3.4Å; E122-I126 PolarHBondContact O-N 3.44Å; E122-I126 VanDerWaalsContact O-N 3.09Å; A123-I126 PolarHBondContact O-N 3.18Å; I126-F129 PolarHBondContact O-N 3.31Å; I126-L130 PolarHBondContact O-N 2.92Å; I126-T180 HydrophobicContact CG2-CG2 3.81Å; I126-F183 HydrophobicContact CD1-CD1 4.03Å; I126-F183 HydrophobicContact CD1-CE1 3.57Å; I126-F183 HydrophobicContact CD1-CZ 4.41Å; I126-L229 HydrophobicContact CD1-CD2 3.96Å; I126-L229 HydrophobicContact CD1-CG 4.5Å; I126-I259 HydrophobicContact CD1-CD1 4.44Å; I126-I259 HydrophobicContact CG1-CD1 3.78Å
127Y88.3Confident84.3Confident1 Ų119.6 Ų19.60%0.00410%0.103CC..Hα-helixtrans-60-51.7174.4166.1-96.7000112.3A123 F124 V125 F129 L130 S131 L181 C184 D351 M352 D355A123-Y127 PolarHBondContact O-N 3.21Å; A123-Y127 VanDerWaalsContact O-N 3.14Å; F124-Y127 PolarHBondContact O-N 3.24Å; V125-Y127 VanDerWaalsContact C-N 3.3Å; V125-Y127 PolarHBondContact O-N 3.44Å; Y127-F129 PolarHBondContact O-N 3.03Å; Y127-L130 PolarHBondContact O-N 2.87Å; Y127-L130 VanDerWaalsContact O-N 3.12Å; Y127-S131 WeakPolarHBondContact CE2-OG 3.36Å; Y127-S131 PolarHBondContact O-N 3.36Å; Y127-S131 PolarHBondContact O-OG 3.06Å; Y127-L181 HydrophobicContact CD2-CD2 3.74Å; Y127-L181 HydrophobicContact CD2-CG 4.41Å; Y127-L181 HydrophobicContact CE2-CD2 3.74Å; Y127-C184 VanDerWaalsContact CB-SG 3.52Å; Y127-D351 PolarHBondContact OH-O 3.47Å; Y127-M352 HydrophobicContact CD1-CB 3.97Å; Y127-M352 HydrophobicContact CD1-CG 3.82Å; Y127-M352 HydrophobicContact CD1-SD 4.07Å; Y127-M352 HydrophobicContact CD2-CG 4.1Å; Y127-M352 HydrophobicContact CE1-CB 3.52Å; Y127-M352 HydrophobicContact CE1-CG 3.81Å; Y127-M352 HydrophobicContact CE2-CB 4.38Å; Y127-M352 HydrophobicContact CE2-CG 4.08Å; Y127-M352 HydrophobicContact CG-CG 3.98Å; Y127-M352 HydrophobicContact CG-SD 4.2Å; Y127-M352 VanDerWaalsContact CZ-CA 3.5Å; Y127-M352 VanDerWaalsContact OH-CA 3.32Å; Y127-M352 WeakPolarHBondContact OH-CA 3.44Å; Y127-M352 PolarHBondContact OH-N 3.27Å; Y127-D355 HydrophobicContact CE2-CB 4.29Å; Y127-D355 PolarHBondContact OH-OD2 3.23Å
128N87.6Confident84Confident0 Ų018.6 Ų18.60%011%0.108CC..Hα-helixtrans-62.1-33.1-179-74.1-70.7000112Y83 R86 I87 F124 V125 L132Y83-N128 HydrophobicContact CD1-CB 4.1Å; Y83-N128 VanDerWaalsContact CD1-OD1 3.24Å; Y83-N128 WeakPolarHBondContact CD1-OD1 3.44Å; R86-N128 HydrophobicContact CB-CB 4.38Å; R86-N128 WeakPolarHBondContact CD-OD1 3.32Å; R86-N128 PolarHBondContact NH1-OD1 3.34Å; I87-N128 HydrophobicContact CG1-CB 4.07Å; F124-N128 VanDerWaalsContact CD1-ND2 3.26Å; F124-N128 WeakPolarHBondContact CD1-ND2 3.02Å; F124-N128 WeakPolarHBondContact CD2-ND2 3.09Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.44Å; F124-N128 VanDerWaalsContact CE2-ND2 3.28Å; F124-N128 WeakPolarHBondContact CE2-ND2 3.21Å; F124-N128 WeakPolarHBondContact CG-ND2 3.25Å; F124-N128 WeakPolarHBondContact CZ-ND2 3.2Å; F124-N128 PolarHBondContact O-N 2.88Å; F124-N128 PolarHBondContact O-ND2 2.8Å; V125-N128 PolarHBondContact O-N 3.17Å; N128-L132 VanDerWaalsContact O-CB 3.22Å; N128-L132 WeakPolarHBondContact O-CB 3.19Å; N128-L132 PolarHBondContact O-N 3.05Å
129F85.6Confident83.8Confident12 Ų1218.7 Ų18.75%0.05311%0.112CC..Hα-helixtrans-68.7-41.7175.1179.2-106.1000112.8I87 V125 I126 Y127 S133 L232 F252 I255I87-F129 HydrophobicContact CD1-CB 4.04Å; I87-F129 HydrophobicContact CD1-CD2 4.22Å; V125-F129 WeakPolarHBondContact O-CB 3.39Å; V125-F129 PolarHBondContact O-N 3.02Å; I126-F129 PolarHBondContact O-N 3.31Å; Y127-F129 PolarHBondContact O-N 3.03Å; F129-S133 PolarHBondContact O-N 2.82Å; F129-S133 VanDerWaalsContact O-N 3.09Å; F129-S133 PolarHBondContact O-OG 3.43Å; F129-L232 HydrophobicContact CD1-CD1 3.67Å; F129-L232 HydrophobicContact CD1-CD2 3.74Å; F129-L232 HydrophobicContact CD1-CG 4.17Å; F129-L232 HydrophobicContact CE1-CD1 3.96Å; F129-L232 HydrophobicContact CE1-CD2 3.89Å; F129-L232 HydrophobicContact CE1-CG 4.17Å; F129-F252 AromaticContact CE1-CD2 3.33Å; F129-F252 HydrophobicContact CE1-CD2 3.33Å; F129-F252 AromaticContact CE1-CE2 3.78Å; F129-F252 HydrophobicContact CE1-CE2 3.78Å; F129-F252 HydrophobicContact CE1-CG 4.26Å; F129-F252 HydrophobicContact CZ-CB 3.88Å; F129-F252 AromaticContact CZ-CD2 3.43Å; F129-F252 HydrophobicContact CZ-CD2 3.43Å; F129-F252 VanDerWaalsContact CZ-CD2 3.43Å; F129-F252 HydrophobicContact CZ-CE2 4.33Å; F129-F252 HydrophobicContact CZ-CG 4.04Å; F129-I255 HydrophobicContact CB-CD1 4.42Å; F129-I255 HydrophobicContact CD2-CD1 3.18Å; F129-I255 HydrophobicContact CE2-CD1 3.6Å; F129-I255 HydrophobicContact CG-CD1 3.94Å
130L85.4Confident83.4Confident0 Ų018.5 Ų18.50%011%0.109CC..Hα-helixtrans-60.9-51.1172.5-179.567.2000110.4I126 Y127 L132 S133 F134 K177 T180 L232 F235I126-L130 PolarHBondContact O-N 2.92Å; Y127-L130 PolarHBondContact O-N 2.87Å; Y127-L130 VanDerWaalsContact O-N 3.12Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 2.99Å; L130-S133 WeakPolarHBondContact O-CA 3.16Å; L130-S133 WeakPolarHBondContact O-CB 3.16Å; L130-S133 PolarHBondContact O-N 3.43Å; L130-F134 HydrophobicContact CD1-CD2 4.11Å; L130-F134 HydrophobicContact CD1-CE2 3.68Å; L130-F134 HydrophobicContact CD2-CE2 4.13Å; L130-F134 HydrophobicContact CG-CD2 3.95Å; L130-F134 HydrophobicContact CG-CE2 3.71Å; L130-F134 WeakPolarHBondContact O-CD2 3.48Å; L130-F134 PolarHBondContact O-N 2.98Å; L130-K177 HydrophobicContact CD2-CB 4.31Å; L130-K177 HydrophobicContact CD2-CG 4.39Å; L130-T180 HydrophobicContact CB-CG2 4.39Å; L130-T180 HydrophobicContact CD2-CG2 4.09Å; L130-T180 WeakPolarHBondContact CD2-OG1 3.25Å; L130-L232 HydrophobicContact CB-CD1 3.9Å; L130-L232 HydrophobicContact CD1-CD1 3.91Å; L130-L232 HydrophobicContact CG-CD1 4.48Å; L130-F235 HydrophobicContact CD1-CB 4.32Å; L130-F235 HydrophobicContact CD1-CD1 3.96Å; L130-F235 HydrophobicContact CD1-CD2 4.28Å; L130-F235 HydrophobicContact CD1-CE1 4.4Å; L130-F235 HydrophobicContact CD1-CG 3.9Å
131S86Confident82.8Confident7 Ų721.1 Ų21.15%0.04913%0.128CC..Hα-helixtrans-60.5-40.9179.9-59.90000112.6Y83 Y127 S133 F134 E135Y83-S131 VanDerWaalsContact CE1-CB 3.46Å; Y127-S131 WeakPolarHBondContact CE2-OG 3.36Å; Y127-S131 PolarHBondContact O-N 3.36Å; Y127-S131 PolarHBondContact O-OG 3.06Å; S131-S133 VanDerWaalsContact C-N 3.25Å; S131-S133 PolarHBondContact O-N 3.45Å; S131-F134 WeakPolarHBondContact O-CB 3.11Å; S131-F134 PolarHBondContact O-N 2.92Å; S131-F134 VanDerWaalsContact O-N 3.12Å; S131-E135 PolarHBondContact O-N 3.07Å
132L85.5Confident82.1Confident0 Ų021 Ų210%014%0.135CC..Hα-helixtrans-58.2-40.3172.9178.859.7000111.9E80 Y83 I84 I87 N128 L130 F134 E135 Y136 F318E80-L132 HydrophobicContact CB-CD1 4.11Å; Y83-L132 HydrophobicContact CG-CB 4.33Å; I84-L132 HydrophobicContact CD1-CD1 4.32Å; I84-L132 HydrophobicContact CG1-CD1 3.92Å; I84-L132 HydrophobicContact CG1-CD2 3.66Å; I84-L132 HydrophobicContact CG1-CG 4.47Å; I87-L132 HydrophobicContact CD1-CD2 3.84Å; N128-L132 VanDerWaalsContact O-CB 3.22Å; N128-L132 WeakPolarHBondContact O-CB 3.19Å; N128-L132 PolarHBondContact O-N 3.05Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 2.99Å; L132-F134 VanDerWaalsContact C-N 3.31Å; L132-F134 PolarHBondContact O-N 3.47Å; L132-E135 PolarHBondContact O-N 3.32Å; L132-Y136 HydrophobicContact CD1-CD1 4.38Å; L132-Y136 HydrophobicContact CD1-CD2 4.28Å; L132-Y136 HydrophobicContact CD1-CE1 3.94Å; L132-Y136 HydrophobicContact CD1-CE2 3.82Å; L132-Y136 HydrophobicContact CD2-CE2 3.84Å; L132-Y136 HydrophobicContact CG-CD2 4Å; L132-Y136 HydrophobicContact CG-CE2 3.54Å; L132-Y136 PolarHBondContact O-N 2.92Å; L132-F318 HydrophobicContact CD2-CE1 3.83Å; L132-F318 HydrophobicContact CD2-CZ 4.37Å
133S81.6Confident81.5Confident9 Ų920.6 Ų20.66%0.06313%0.133CC..Hα-helixtrans-69.5-31179.2-510000112.1F129 L130 S131 L137 F235F129-S133 PolarHBondContact O-N 2.82Å; F129-S133 VanDerWaalsContact O-N 3.09Å; F129-S133 PolarHBondContact O-OG 3.43Å; L130-S133 WeakPolarHBondContact O-CA 3.16Å; L130-S133 WeakPolarHBondContact O-CB 3.16Å; L130-S133 PolarHBondContact O-N 3.43Å; S131-S133 VanDerWaalsContact C-N 3.25Å; S131-S133 PolarHBondContact O-N 3.45Å; S133-L137 WeakPolarHBondContact O-CD1 3.48Å; S133-L137 WeakPolarHBondContact O-CG 3.26Å; S133-F235 VanDerWaalsContact CB-CE1 3.48Å
134F82.7Confident80.7Confident8 Ų823 Ų234%0.03514%0.144CC..Hα-helixtrans-65.6-45169.4-85.4-85.9000111.8L130 S131 L132 L137 G139 E140 I143 L173 F235L130-F134 HydrophobicContact CD1-CD2 4.11Å; L130-F134 HydrophobicContact CD1-CE2 3.68Å; L130-F134 HydrophobicContact CD2-CE2 4.13Å; L130-F134 HydrophobicContact CG-CD2 3.95Å; L130-F134 HydrophobicContact CG-CE2 3.71Å; L130-F134 WeakPolarHBondContact O-CD2 3.48Å; L130-F134 PolarHBondContact O-N 2.98Å; S131-F134 WeakPolarHBondContact O-CB 3.11Å; S131-F134 PolarHBondContact O-N 2.92Å; S131-F134 VanDerWaalsContact O-N 3.12Å; L132-F134 VanDerWaalsContact C-N 3.31Å; L132-F134 PolarHBondContact O-N 3.47Å; F134-L137 PolarHBondContact O-N 3.39Å; F134-G139 WeakPolarHBondContact O-CA 3.4Å; F134-G139 PolarHBondContact O-N 3.49Å; F134-E140 HydrophobicContact CD1-CG 3.96Å; F134-E140 HydrophobicContact CE1-CG 4.08Å; F134-I143 HydrophobicContact CB-CD1 4.37Å; F134-I143 HydrophobicContact CD1-CD1 3.34Å; F134-I143 HydrophobicContact CE1-CD1 3.89Å; F134-I143 HydrophobicContact CG-CD1 4.13Å; F134-L173 HydrophobicContact CE1-CB 4.24Å; F134-L173 HydrophobicContact CE1-CD2 4Å; F134-L173 HydrophobicContact CE1-CG 4.49Å; F134-L173 HydrophobicContact CZ-CB 4.23Å; F134-L173 HydrophobicContact CZ-CD2 4.1Å; F134-F235 HydrophobicContact CD1-CE2 4.26Å; F134-F235 HydrophobicContact CD1-CZ 4.47Å; F134-F235 HydrophobicContact CD2-CE2 4.13Å; F134-F235 HydrophobicContact CD2-CZ 4.12Å; F134-F235 AromaticContact CE1-CE2 3.83Å; F134-F235 HydrophobicContact CE1-CE2 3.83Å; F134-F235 HydrophobicContact CE1-CZ 4.47Å; F134-F235 HydrophobicContact CE2-CD2 4.18Å; F134-F235 AromaticContact CE2-CE2 3.7Å; F134-F235 HydrophobicContact CE2-CE2 3.7Å; F134-F235 HydrophobicContact CE2-CZ 4.14Å; F134-F235 HydrophobicContact CG-CE2 4.38Å; F134-F235 HydrophobicContact CG-CZ 4.27Å; F134-F235 HydrophobicContact CZ-CD2 4.04Å; F134-F235 AromaticContact CZ-CE2 3.52Å; F134-F235 HydrophobicContact CZ-CE2 3.52Å; F134-F235 HydrophobicContact CZ-CZ 4.31Å
135E84.8Confident79.9Confident62 Ų6226 Ų2629%0.2917%0.169SC..Hα-helixtrans-65.4-41.4179.5-70.8-56.9131.400112.7E80 Y83 S131 L132 L137 G138E80-E135 HydrophobicContact CG-CB 4.46Å; Y83-E135 HydrophobicContact CD2-CG 4.18Å; Y83-E135 HydrophobicContact CE2-CG 3.74Å; S131-E135 PolarHBondContact O-N 3.07Å; L132-E135 PolarHBondContact O-N 3.32Å; E135-L137 PolarHBondContact O-N 2.89Å; E135-G138 PolarHBondContact O-N 3.21Å
136Y79.3Confident79.1Confident21 Ų2130.8 Ų30.88%0.08219%0.191CC..Hα-helixtrans-59-23.3176.2-76.7-34.2000114E80 I84 L132 L243E80-Y136 HydrophobicContact CB-CE1 4.28Å; E80-Y136 HydrophobicContact CG-CD1 3.99Å; E80-Y136 HydrophobicContact CG-CE1 4.01Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.11Å; I84-Y136 WeakPolarHBondContact CD1-OH 2.95Å; L132-Y136 HydrophobicContact CD1-CD1 4.38Å; L132-Y136 HydrophobicContact CD1-CD2 4.28Å; L132-Y136 HydrophobicContact CD1-CE1 3.94Å; L132-Y136 HydrophobicContact CD1-CE2 3.82Å; L132-Y136 HydrophobicContact CD2-CE2 3.84Å; L132-Y136 HydrophobicContact CG-CD2 4Å; L132-Y136 HydrophobicContact CG-CE2 3.54Å; L132-Y136 PolarHBondContact O-N 2.92Å; Y136-L243 HydrophobicContact CD2-CD2 4.41Å
137L76.8Confident78.2Confident22 Ų2231 Ų3112%0.11519%0.192CC..THydrogen-bonded Turntrans-93.33.7178-65168.3000113.1S133 F134 E135 A142 I143 F235 T239 L242 L243S133-L137 WeakPolarHBondContact O-CD1 3.48Å; S133-L137 WeakPolarHBondContact O-CG 3.26Å; F134-L137 PolarHBondContact O-N 3.39Å; E135-L137 PolarHBondContact O-N 2.89Å; L137-A142 WeakPolarHBondContact O-CB 3.1Å; L137-I143 HydrophobicContact CB-CD1 3.69Å; L137-I143 HydrophobicContact CB-CG1 3.3Å; L137-I143 HydrophobicContact CD1-CD1 3.7Å; L137-I143 HydrophobicContact CD1-CG1 3.72Å; L137-I143 HydrophobicContact CG-CD1 4.35Å; L137-I143 HydrophobicContact CG-CG1 4.12Å; L137-F235 HydrophobicContact CD1-CE1 4.37Å; L137-F235 HydrophobicContact CD1-CZ 3.81Å; L137-T239 HydrophobicContact CD1-CG2 3.56Å; L137-L242 HydrophobicContact CD2-CB 3.37Å; L137-L242 HydrophobicContact CD2-CD2 3.84Å; L137-L242 HydrophobicContact CD2-CG 4.29Å; L137-L243 HydrophobicContact CD1-CG 4.45Å; L137-L243 HydrophobicContact CD2-CD2 4.01Å; L137-L243 HydrophobicContact CD2-CG 3.88Å; L137-L243 HydrophobicContact CG-CD2 4.01Å; L137-L243 HydrophobicContact CG-CG 4.22Å
138G74.6Confident76.9Confident55 Ų5540.5 Ų40.557%0.56723%0.228SC*.THydrogen-bonded Turntrans82.821.5-177.300000114.2E135 A142E135-G138 PolarHBondContact O-N 3.21Å; G138-A142 WeakPolarHBondContact O-CB 3.34Å
139G79.3Confident75.4Confident12 Ų1243.7 Ų43.712%0.12426%0.261CS..Hα-helixtrans84.4178.7176.300000114.8F134 S141 A142 I143F134-G139 WeakPolarHBondContact O-CA 3.4Å; F134-G139 PolarHBondContact O-N 3.49Å; G139-S141 VanDerWaalsContact C-N 3.27Å; G139-S141 PolarHBondContact O-N 3.25Å; G139-A142 PolarHBondContact O-N 3.02Å; G139-I143 WeakPolarHBondContact O-CD1 3.47Å; G139-I143 WeakPolarHBondContact O-CG1 3.4Å; G139-I143 PolarHBondContact O-N 3.41Å
140E72.9Confident74.2Confident54 Ų5447.4 Ų47.425%0.25228%0.277SS..Hα-helixtrans-58-36.2-171.8-64.6-174-176.500113.1F134 M144 K177F134-E140 HydrophobicContact CD1-CG 3.96Å; F134-E140 HydrophobicContact CE1-CG 4.08Å; E140-M144 VanDerWaalsContact O-CB 3.3Å; E140-M144 WeakPolarHBondContact O-CB 3.36Å; E140-M144 PolarHBondContact O-N 2.86Å; E140-K177 IonicContact OE1-NZ 2.9Å; E140-K177 PolarHBondContact OE1-NZ 2.93Å
141S70.5Confident72.9Confident104 Ų10452.4 Ų52.473%0.72731%0.31SS*.Hα-helixtrans-72.7-41.9-177.5-53.80000113.5G139 M144 S145G139-S141 VanDerWaalsContact C-N 3.27Å; G139-S141 PolarHBondContact O-N 3.25Å; S141-M144 PolarHBondContact O-N 2.9Å; S141-S145 PolarHBondContact O-N 3.04Å
142A72.9Confident71.5Confident35 Ų3553.2 Ų53.229%0.28931%0.313SS..Hα-helixtrans-70.6-41.3-179.800000111.3L137 G138 G139 M144 S145 E146L137-A142 WeakPolarHBondContact O-CB 3.1Å; G138-A142 WeakPolarHBondContact O-CB 3.34Å; G139-A142 PolarHBondContact O-N 3.02Å; A142-M144 VanDerWaalsContact C-N 3.3Å; A142-M144 PolarHBondContact O-N 3.09Å; A142-S145 PolarHBondContact O-N 3.33Å; A142-S145 PolarHBondContact O-OG 3.2Å; A142-E146 WeakPolarHBondContact O-CB 3.33Å; A142-E146 PolarHBondContact O-N 3.24Å
143I72.5Confident69.9Low0 Ų060.2 Ų60.20%035%0.346CS..Hα-helixtrans-55.7-49.5170.1-65.2168.4000109.3F134 L137 G139 S145 E146 I147 L173F134-I143 HydrophobicContact CB-CD1 4.37Å; F134-I143 HydrophobicContact CD1-CD1 3.34Å; F134-I143 HydrophobicContact CE1-CD1 3.89Å; F134-I143 HydrophobicContact CG-CD1 4.13Å; L137-I143 HydrophobicContact CB-CD1 3.69Å; L137-I143 HydrophobicContact CB-CG1 3.3Å; L137-I143 HydrophobicContact CD1-CD1 3.7Å; L137-I143 HydrophobicContact CD1-CG1 3.72Å; L137-I143 HydrophobicContact CG-CD1 4.35Å; L137-I143 HydrophobicContact CG-CG1 4.12Å; G139-I143 WeakPolarHBondContact O-CD1 3.47Å; G139-I143 WeakPolarHBondContact O-CG1 3.4Å; G139-I143 PolarHBondContact O-N 3.41Å; I143-S145 VanDerWaalsContact C-N 3.31Å; I143-S145 PolarHBondContact O-N 3.12Å; I143-E146 PolarHBondContact O-N 2.98Å; I143-I147 HydrophobicContact CG2-CD1 3.34Å; I143-I147 HydrophobicContact CG2-CG1 4.12Å; I143-I147 WeakPolarHBondContact O-CB 3.4Å; I143-I147 VanDerWaalsContact O-CG1 3.25Å; I143-I147 WeakPolarHBondContact O-CG1 3.3Å; I143-I147 PolarHBondContact O-N 3.35Å; I143-L173 HydrophobicContact CB-CD1 4.35Å; I143-L173 HydrophobicContact CG2-CD1 3.55Å; I143-L173 HydrophobicContact CG2-CD2 3.89Å; I143-L173 HydrophobicContact CG2-CG 4.36Å
144M69.4Low68.3Low51 Ų5162.8 Ų62.825%0.25136%0.364SS..Hα-helixtrans-60.3-39.5-179.4-174.265.3-170.300112.2E140 S141 A142 R148 I170E140-M144 VanDerWaalsContact O-CB 3.3Å; E140-M144 WeakPolarHBondContact O-CB 3.36Å; E140-M144 PolarHBondContact O-N 2.86Å; S141-M144 PolarHBondContact O-N 2.9Å; A142-M144 VanDerWaalsContact C-N 3.3Å; A142-M144 PolarHBondContact O-N 3.09Å; M144-R148 WeakPolarHBondContact O-CB 3.29Å; M144-R148 PolarHBondContact O-N 2.94Å; M144-R148 VanDerWaalsContact O-N 3.17Å; M144-I170 HydrophobicContact CE-CB 4.48Å; M144-I170 HydrophobicContact SD-CB 4.21Å
145S70.1Confident66.9Low90 Ų9064.6 Ų64.663%0.62938%0.378SS*.Hα-helixtrans-68.1-38.4177.255.60000113.4S141 A142 I143S141-S145 PolarHBondContact O-N 3.04Å; A142-S145 PolarHBondContact O-N 3.33Å; A142-S145 PolarHBondContact O-OG 3.2Å; I143-S145 VanDerWaalsContact C-N 3.31Å; I143-S145 PolarHBondContact O-N 3.12Å
146E70.4Confident65Low101 Ų10167 Ų6747%0.47240%0.4SS..Hα-helixtrans-82-24.6-174.6-173.354.3-138.900112.9A142 I143 K150 L242A142-E146 WeakPolarHBondContact O-CB 3.33Å; A142-E146 PolarHBondContact O-N 3.24Å; I143-E146 PolarHBondContact O-N 2.98Å; E146-K150 IonicContact OE1-NZ 3.09Å; E146-K150 PolarHBondContact OE1-NZ 2.7Å; E146-K150 VanDerWaalsContact OE1-NZ 3.09Å; E146-L242 HydrophobicContact CB-CD2 3.86Å; E146-L242 HydrophobicContact CG-CD1 4.11Å; E146-L242 HydrophobicContact CG-CD2 3.39Å; E146-L242 HydrophobicContact CG-CG 3.73Å
147I66.6Low63.4Low7 Ų773.8 Ų73.84%0.03644%0.437CS..Hα-helixtrans-97.3-21.2-175.1-69.3-169.7000112.3I143 G149 K150 Y168 T239 L242I143-I147 HydrophobicContact CG2-CD1 3.34Å; I143-I147 HydrophobicContact CG2-CG1 4.12Å; I143-I147 WeakPolarHBondContact O-CB 3.4Å; I143-I147 VanDerWaalsContact O-CG1 3.25Å; I143-I147 WeakPolarHBondContact O-CG1 3.3Å; I143-I147 PolarHBondContact O-N 3.35Å; I147-G149 PolarHBondContact O-N 2.7Å; I147-K150 PolarHBondContact O-N 3.04Å; I147-Y168 HydrophobicContact CG2-CD1 4.18Å; I147-Y168 HydrophobicContact CG2-CD2 3.76Å; I147-Y168 HydrophobicContact CG2-CG 3.4Å; I147-Y168 VanDerWaalsContact CG2-CG 3.4Å; I147-T239 HydrophobicContact CD1-CG2 3.76Å; I147-L242 HydrophobicContact CG1-CD2 4.21Å
148R61.4Low62.2Low201 Ų20179 Ų7976%0.75846%0.456SS*.THydrogen-bonded Turntrans-63.9106.1178.7-171.2177.6-168.1-156.42.8110.9M144M144-R148 WeakPolarHBondContact O-CB 3.29Å; M144-R148 PolarHBondContact O-N 2.94Å; M144-R148 VanDerWaalsContact O-N 3.17Å
149G55.7Low61.1Low67 Ų6778.1 Ų78.169%0.69145%0.446SS*.THydrogen-bonded Turntrans115.8-9173.400000115.4I147I147-G149 PolarHBondContact O-N 2.7Å
150K60.5Low59.9Low89 Ų8977.9 Ų77.939%0.38744%0.443SS..PPolyproline II helixtrans-81.9123.9171.9-68177.2-174.3158.80109.5E146 I147 Y168E146-K150 IonicContact OE1-NZ 3.09Å; E146-K150 PolarHBondContact OE1-NZ 2.7Å; E146-K150 VanDerWaalsContact OE1-NZ 3.09Å; I147-K150 PolarHBondContact O-N 3.04Å; K150-Y168 HydrophobicContact CB-CD2 4.12Å; K150-Y168 HydrophobicContact CB-CE2 4.3Å; K150-Y168 VanDerWaalsContact O-CD2 3.23Å; K150-Y168 WeakPolarHBondContact O-CD2 3.08Å
151P56.6Low58.9Low105 Ų10578.8 Ų78.868%0.68245%0.454SS*.BIsolated β-bridgetrans-71.2143.7174.528.3-32.6000110.6Q153P151-Q153 PolarHBondContact O-N 3.17Å
152I58.4Low57.9Low24 Ų2479.5 Ų79.512%0.12346%0.458CS..PPolyproline II helixtrans-64.2120.5171.9-61.9174.3000107.9S154 M166 Y168I152-S154 PolarHBondContact O-N 3.22Å; I152-M166 HydrophobicContact CD1-CB 3.68Å; I152-M166 WeakPolarHBondContact CD1-O 3.27Å; I152-M166 WeakPolarHBondContact CG1-O 3.26Å; I152-Y168 HydrophobicContact CG1-CD1 4.05Å; I152-Y168 HydrophobicContact CG1-CD2 4.46Å; I152-Y168 HydrophobicContact CG1-CE1 3.85Å; I152-Y168 HydrophobicContact CG1-CE2 4.34Å; I152-Y168 HydrophobicContact CG1-CG 4.3Å
153Q51.6Low56.8Low148 Ų14879.4 Ų79.469%0.69245%0.452SS*.  trans-68.699.5167.9-67.6-115.8-35.600107.4P151P151-Q153 PolarHBondContact O-N 3.17Å
154S47.5Very low55.3Low63 Ų6384 Ų8444%0.44148%0.48SS..  trans-72136.9178.957.10000109.7I152I152-S154 PolarHBondContact O-N 3.22Å
155S53.1Low54.3Low46 Ų4685.3 Ų85.332%0.32251%0.507SS..  trans-145.1115.6176.5-79.90000109.5L157 Y158 T160S155-L157 PolarHBondContact O-N 3.4Å; S155-Y158 VanDerWaalsContact CB-CD2 3.47Å; S155-Y158 PolarHBondContact O-N 2.94Å; S155-T160 PolarHBondContact N-OG1 2.89Å; S155-T160 PolarHBondContact O-OG1 2.94Å
156C45.4Very low53.4Low111 Ų11185.6 Ų85.675%0.7550%0.499SS*.G310 helixtrans-57-32.6-177-169.60000112.7Y158C156-Y158 PolarHBondContact O-N 3.46Å
157L46.2Very low52.6Low164 Ų16484.3 Ų84.386%0.85950%0.502SS*.G310 helixtrans-63.9-21176.7-107.1151.9000114.4S155S155-L157 PolarHBondContact O-N 3.4Å
158Y50.6Low52.4Low132 Ų13285.2 Ų85.252%0.51851%0.505SS..G310 helixtrans-110.114.1-173.8-61.2-68.1000113.6S155 C156 T160 F233S155-Y158 VanDerWaalsContact CB-CD2 3.47Å; S155-Y158 PolarHBondContact O-N 2.94Å; C156-Y158 PolarHBondContact O-N 3.46Å; Y158-T160 PolarHBondContact O-N 3.19Å; Y158-F233 HydrophobicContact CD1-CE1 4.48Å; Y158-F233 HydrophobicContact CD1-CZ 4.19Å
159G51.4Low52.6Low36 Ų3677.9 Ų77.937%0.37148%0.484SS..THydrogen-bonded Turntrans72.82.8178.400000114.8C161 Y230G159-C161 PolarHBondContact O-N 2.84Å; G159-Y230 PolarHBondContact O-OH 3.17Å; G159-Y230 VanDerWaalsContact O-OH 3.08Å
160T54.8Low53.3Low8 Ų877.4 Ų77.45%0.04947%0.465CS..G310 helixtrans-78.410.4175.939.40000113.7S155 Y158 C162 L163 V164 L234S155-T160 PolarHBondContact N-OG1 2.89Å; S155-T160 PolarHBondContact O-OG1 2.94Å; Y158-T160 PolarHBondContact O-N 3.19Å; T160-C162 PolarHBondContact O-N 2.7Å; T160-L163 HydrophobicContact CG2-CB 4.46Å; T160-L163 HydrophobicContact CG2-CD1 4.07Å; T160-L163 PolarHBondContact O-N 2.73Å; T160-V164 PolarHBondContact O-N 2.93Å; T160-L234 HydrophobicContact CG2-CD2 3.47Å; T160-L234 VanDerWaalsContact CG2-CD2 3.47Å
161C52Low53.8Low73 Ų7375 Ų7549%0.49347%0.466SS..G310 helixtrans-61.4-29.8176.668.20000112.5G159 L163 V164G159-C161 PolarHBondContact O-N 2.84Å; C161-L163 VanDerWaalsContact C-N 3.31Å; C161-V164 VanDerWaalsContact O-CG2 3.31Å; C161-V164 WeakPolarHBondContact O-CG2 3.26Å
162C47.9Very low54.8Low119 Ų11970.5 Ų70.580%0.80444%0.436SS*.G310 helixtrans-81.3-6174.2-58.10000113.8T160T160-C162 PolarHBondContact O-N 2.7Å
163L50.4Low55.8Low32 Ų3269.9 Ų69.917%0.16843%0.432CS..G310 helixtrans-110.911-177.8-77.4143.7000112.5T160 C161 G165 M166 Y230 L234T160-L163 HydrophobicContact CG2-CB 4.46Å; T160-L163 HydrophobicContact CG2-CD1 4.07Å; T160-L163 PolarHBondContact O-N 2.73Å; C161-L163 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 2.74Å; L163-M166 HydrophobicContact CD2-CG 4.42Å; L163-M166 PolarHBondContact O-N 3.31Å; L163-Y230 WeakPolarHBondContact CD1-OH 3.5Å; L163-L234 HydrophobicContact CD1-CD1 3.83Å; L163-L234 HydrophobicContact CD1-CD2 4.12Å
164V42.4Very low57.1Low96 Ų9665.4 Ų65.458%0.58241%0.409SS*.THydrogen-bonded Turntrans-60.4117.7175.6173.20000109.6T160 C161T160-V164 PolarHBondContact O-N 2.93Å; C161-V164 VanDerWaalsContact O-CG2 3.31Å; C161-V164 WeakPolarHBondContact O-CG2 3.26Å
165G47.3Very low58.9Low79 Ų7966.4 Ų66.481%0.81441%0.406SS*.THydrogen-bonded Turntrans96.7-1.1174.900000115.9L163L163-G165 PolarHBondContact O-N 2.74Å
166M51.3Low60.4Low97 Ų9764.2 Ų64.248%0.47839%0.39SS..  trans-75.9127.2169.4-69.3-82.3-76.300109I152 L163I152-M166 HydrophobicContact CD1-CB 3.68Å; I152-M166 WeakPolarHBondContact CD1-O 3.27Å; I152-M166 WeakPolarHBondContact CG1-O 3.26Å; L163-M166 HydrophobicContact CD2-CG 4.42Å; L163-M166 PolarHBondContact O-N 3.31Å
167S54.1Low62.3Low74 Ų7459.6 Ų59.652%0.51736%0.357SS..BIsolated β-bridgetrans-75.3146.9162.450.30000108.2S169S167-S169 PolarHBondContact O-N 3.13Å
168Y61.8Low64.2Low26 Ų2655 Ų5510%0.10233%0.331CS..SBendtrans-60.6111.3169.8-66.8-68000109I147 K150 I152 F172 A238I147-Y168 HydrophobicContact CG2-CD1 4.18Å; I147-Y168 HydrophobicContact CG2-CD2 3.76Å; I147-Y168 HydrophobicContact CG2-CG 3.4Å; I147-Y168 VanDerWaalsContact CG2-CG 3.4Å; K150-Y168 HydrophobicContact CB-CD2 4.12Å; K150-Y168 HydrophobicContact CB-CE2 4.3Å; K150-Y168 VanDerWaalsContact O-CD2 3.23Å; K150-Y168 WeakPolarHBondContact O-CD2 3.08Å; I152-Y168 HydrophobicContact CG1-CD1 4.05Å; I152-Y168 HydrophobicContact CG1-CD2 4.46Å; I152-Y168 HydrophobicContact CG1-CE1 3.85Å; I152-Y168 HydrophobicContact CG1-CE2 4.34Å; I152-Y168 HydrophobicContact CG1-CG 4.3Å; Y168-F172 HydrophobicContact CD1-CD1 4.17Å; Y168-F172 HydrophobicContact CD1-CE1 4.18Å; Y168-F172 HydrophobicContact CE1-CE1 4.4Å; Y168-A238 HydrophobicContact CD1-CB 3.8Å; Y168-A238 HydrophobicContact CE1-CB 3.12Å; Y168-A238 WeakPolarHBondContact OH-CA 2.9Å
169S65.1Low65.9Low47 Ų4749 Ų4933%0.32931%0.309SS..  trans-129.5162.2-170.7177.70000109.5S167 G171 F172 L173S167-S169 PolarHBondContact O-N 3.13Å; S169-G171 PolarHBondContact O-N 3.25Å; S169-F172 WeakPolarHBondContact O-CB 2.9Å; S169-F172 PolarHBondContact O-N 3.46Å; S169-L173 PolarHBondContact O-N 2.73Å
170I70.1Confident67.6Low56 Ų5647.2 Ų47.229%0.28729%0.291SS..Hα-helixtrans-50.2-32.4174.3-167.869.8000112.1M144 F172 R174M144-I170 HydrophobicContact CE-CB 4.48Å; M144-I170 HydrophobicContact SD-CB 4.21Å; I170-F172 VanDerWaalsContact C-N 3.34Å; I170-F172 PolarHBondContact O-N 2.98Å; I170-R174 WeakPolarHBondContact O-CB 3.24Å; I170-R174 WeakPolarHBondContact O-CG 3.37Å; I170-R174 PolarHBondContact O-N 2.93Å
171G72.1Confident69.1Low39 Ų3947.2 Ų47.240%0.40229%0.291SS..Hα-helixtrans-64.7-33.7176.200000113.9S169 F175S169-G171 PolarHBondContact O-N 3.25Å; G171-F175 WeakPolarHBondContact O-CB 3.36Å; G171-F175 PolarHBondContact O-N 3.28Å
172F77.6Confident71Confident11 Ų1146.4 Ų46.45%0.04828%0.28CS..Hα-helixtrans-70.6-46.5178.2170.6-97.2000111.8Y168 S169 I170 R174 F175 C176 L234 A238Y168-F172 HydrophobicContact CD1-CD1 4.17Å; Y168-F172 HydrophobicContact CD1-CE1 4.18Å; Y168-F172 HydrophobicContact CE1-CE1 4.4Å; S169-F172 WeakPolarHBondContact O-CB 2.9Å; S169-F172 PolarHBondContact O-N 3.46Å; I170-F172 VanDerWaalsContact C-N 3.34Å; I170-F172 PolarHBondContact O-N 2.98Å; F172-R174 VanDerWaalsContact C-N 3.29Å; F172-R174 PolarHBondContact O-N 3.22Å; F172-F175 WeakPolarHBondContact O-CB 3.14Å; F172-F175 PolarHBondContact O-N 3.42Å; F172-C176 PolarHBondContact O-N 3.33Å; F172-C176 PolarHBondContact O-SG 3.4Å; F172-L234 HydrophobicContact CE2-CB 3.91Å; F172-L234 HydrophobicContact CE2-CD1 4.3Å; F172-L234 HydrophobicContact CZ-CB 3.83Å; F172-A238 HydrophobicContact CE1-CB 3.72Å; F172-A238 HydrophobicContact CZ-CB 4.05Å
173L78.8Confident73Confident10 Ų1040.8 Ų40.85%0.05224%0.242CC..Hα-helixtrans-61.5-41.6176-65.7173.5000111F134 I143 S169 C176 K177 F235F134-L173 HydrophobicContact CE1-CB 4.24Å; F134-L173 HydrophobicContact CE1-CD2 4Å; F134-L173 HydrophobicContact CE1-CG 4.49Å; F134-L173 HydrophobicContact CZ-CB 4.23Å; F134-L173 HydrophobicContact CZ-CD2 4.1Å; I143-L173 HydrophobicContact CB-CD1 4.35Å; I143-L173 HydrophobicContact CG2-CD1 3.55Å; I143-L173 HydrophobicContact CG2-CD2 3.89Å; I143-L173 HydrophobicContact CG2-CG 4.36Å; S169-L173 PolarHBondContact O-N 2.73Å; L173-C176 PolarHBondContact O-N 3.23Å; L173-K177 PolarHBondContact O-N 2.66Å; L173-F235 HydrophobicContact CD2-CD2 3.79Å; L173-F235 HydrophobicContact CD2-CE2 3.64Å
174R80.1Confident74.7Confident55 Ų5539.9 Ų39.921%0.20824%0.238CC..Hα-helixtrans-62.8-44.2173.6-77-174.1-171.2169.211.3112.7I170 F172 C176 K177 Q178 Y364I170-R174 WeakPolarHBondContact O-CB 3.24Å; I170-R174 WeakPolarHBondContact O-CG 3.37Å; I170-R174 PolarHBondContact O-N 2.93Å; F172-R174 VanDerWaalsContact C-N 3.29Å; F172-R174 PolarHBondContact O-N 3.22Å; R174-C176 VanDerWaalsContact C-N 3.26Å; R174-C176 PolarHBondContact O-N 2.89Å; R174-K177 PolarHBondContact O-N 3.48Å; R174-Q178 VanDerWaalsContact O-CB 3.25Å; R174-Q178 WeakPolarHBondContact O-CB 3.31Å; R174-Q178 VanDerWaalsContact O-CG 3.24Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3.38Å; R174-Y364 VanDerWaalsContact NH2-CD1 3.33Å
175F84.4Confident76.9Confident84 Ų8437.8 Ų37.837%0.36823%0.231SC..Hα-helixtrans-57-43.4175.5172.7-97.5000111G171 F172 K177 Q178 A179 L227 A231G171-F175 WeakPolarHBondContact O-CB 3.36Å; G171-F175 PolarHBondContact O-N 3.28Å; F172-F175 WeakPolarHBondContact O-CB 3.14Å; F172-F175 PolarHBondContact O-N 3.42Å; F175-K177 PolarHBondContact O-N 2.87Å; F175-Q178 PolarHBondContact O-N 3.46Å; F175-A179 VanDerWaalsContact O-CB 3.28Å; F175-A179 WeakPolarHBondContact O-CB 3.23Å; F175-A179 PolarHBondContact O-N 3.36Å; F175-L227 HydrophobicContact CZ-CD1 4.18Å; F175-A231 HydrophobicContact CE1-CB 4.19Å
176C84.1Confident78.9Confident0 Ų035.3 Ų35.30%020%0.2CC..Hα-helixtrans-62-44.6177.7-61.50000112.7F172 L173 R174 T180 A231 F235F172-C176 PolarHBondContact O-N 3.33Å; F172-C176 PolarHBondContact O-SG 3.4Å; L173-C176 PolarHBondContact O-N 3.23Å; R174-C176 VanDerWaalsContact C-N 3.26Å; R174-C176 PolarHBondContact O-N 2.89Å; C176-T180 WeakPolarHBondContact O-CB 3.37Å; C176-T180 PolarHBondContact O-N 2.93Å; C176-T180 VanDerWaalsContact O-N 3.17Å; C176-T180 PolarHBondContact O-OG1 3.32Å; C176-A231 HydrophobicContact CB-CB 4.49Å; C176-A231 PolarHBondContact SG-O 3Å; C176-F235 HydrophobicContact CB-CB 4.22Å
177K85.1Confident80.5Confident13 Ų1331 Ų316%0.05718%0.178CC..Hα-helixtrans-69.3-41.8178.2-157.8167.3158.2172.70111.7L130 E140 L173 R174 F175 T180 L181 D355 N359L130-K177 HydrophobicContact CD2-CB 4.31Å; L130-K177 HydrophobicContact CD2-CG 4.39Å; E140-K177 IonicContact OE1-NZ 2.9Å; E140-K177 PolarHBondContact OE1-NZ 2.93Å; L173-K177 PolarHBondContact O-N 2.66Å; R174-K177 PolarHBondContact O-N 3.48Å; F175-K177 PolarHBondContact O-N 2.87Å; K177-T180 PolarHBondContact O-N 3.42Å; K177-L181 HydrophobicContact CG-CD1 4.06Å; K177-L181 VanDerWaalsContact O-CB 3.32Å; K177-L181 WeakPolarHBondContact O-CB 3.44Å; K177-L181 WeakPolarHBondContact O-CD1 3.23Å; K177-L181 WeakPolarHBondContact O-CG 3.1Å; K177-L181 PolarHBondContact O-N 3.37Å; K177-D355 WeakPolarHBondContact CE-OD1 3.33Å; K177-D355 WeakPolarHBondContact CE-OD2 3.45Å; K177-D355 IonicContact NZ-OD1 3.78Å; K177-D355 PolarHBondContact NZ-OD1 2.9Å; K177-D355 IonicContact NZ-OD2 2.61Å; K177-D355 PolarHBondContact NZ-OD2 3.49Å; K177-N359 WeakPolarHBondContact CB-ND2 3.42Å; K177-N359 WeakPolarHBondContact CD-ND2 3.29Å; K177-N359 WeakPolarHBondContact CE-ND2 3.49Å; K177-N359 WeakPolarHBondContact CG-ND2 3.22Å
178Q85.9Confident82.1Confident67 Ų6729.9 Ų29.931%0.31317%0.17SC..Hα-helixtrans-64.2-44.3176.4-75.8176-15.200112.5R174 F175 T180 L181 Q182 N359 F360R174-Q178 VanDerWaalsContact O-CB 3.25Å; R174-Q178 WeakPolarHBondContact O-CB 3.31Å; R174-Q178 VanDerWaalsContact O-CG 3.24Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3.38Å; F175-Q178 PolarHBondContact O-N 3.46Å; Q178-T180 VanDerWaalsContact C-N 3.33Å; Q178-T180 PolarHBondContact O-N 2.91Å; Q178-L181 PolarHBondContact O-N 3Å; Q178-Q182 WeakPolarHBondContact O-CB 3.35Å; Q178-Q182 PolarHBondContact O-N 3.41Å; Q178-N359 HydrophobicContact CG-CB 4.23Å; Q178-N359 PolarHBondContact NE2-O 2.85Å; Q178-F360 HydrophobicContact CB-CE1 4.47Å; Q178-F360 HydrophobicContact CB-CZ 4.24Å; Q178-F360 HydrophobicContact CG-CE1 4.31Å; Q178-F360 HydrophobicContact CG-CZ 4.32Å
179A87.7Confident83.4Confident6 Ų633.1 Ų33.15%0.0519%0.188CC..Hα-helixtrans-61.7-42.4176.700000111.6F175 Q182 F183 L227 A231F175-A179 VanDerWaalsContact O-CB 3.28Å; F175-A179 WeakPolarHBondContact O-CB 3.23Å; F175-A179 PolarHBondContact O-N 3.36Å; A179-Q182 PolarHBondContact O-N 2.88Å; A179-Q182 PolarHBondContact O-OE1 3.26Å; A179-F183 PolarHBondContact O-N 3.29Å; A179-F183 VanDerWaalsContact O-N 3.14Å; A179-L227 HydrophobicContact CB-CG 4.27Å; A179-A231 HydrophobicContact CB-CB 3.58Å
180T87Confident84.4Confident0 Ų032.2 Ų32.20%018%0.178CC..Hα-helixtrans-69.3-42.8178.5-56.70000112.1I126 L130 C176 K177 Q178 Q182 F183 C184I126-T180 HydrophobicContact CG2-CG2 3.81Å; L130-T180 HydrophobicContact CB-CG2 4.39Å; L130-T180 HydrophobicContact CD2-CG2 4.09Å; L130-T180 WeakPolarHBondContact CD2-OG1 3.25Å; C176-T180 WeakPolarHBondContact O-CB 3.37Å; C176-T180 PolarHBondContact O-N 2.93Å; C176-T180 VanDerWaalsContact O-N 3.17Å; C176-T180 PolarHBondContact O-OG1 3.32Å; K177-T180 PolarHBondContact O-N 3.42Å; Q178-T180 VanDerWaalsContact C-N 3.33Å; Q178-T180 PolarHBondContact O-N 2.91Å; T180-Q182 VanDerWaalsContact C-N 3.32Å; T180-Q182 PolarHBondContact O-N 3.02Å; T180-F183 PolarHBondContact O-N 3.28Å; T180-C184 PolarHBondContact O-N 2.93Å; T180-C184 VanDerWaalsContact O-N 3.07Å; T180-C184 PolarHBondContact O-SG 3.16Å
181L86.6Confident85.1Confident7 Ų730 Ų304%0.03717%0.168CC..Hα-helixtrans-65.7-35.4175.3-73.1165.4000112.1Y127 K177 Q178 F183 C184 A185 M352 A356 N359 F360Y127-L181 HydrophobicContact CD2-CD2 3.74Å; Y127-L181 HydrophobicContact CD2-CG 4.41Å; Y127-L181 HydrophobicContact CE2-CD2 3.74Å; K177-L181 HydrophobicContact CG-CD1 4.06Å; K177-L181 VanDerWaalsContact O-CB 3.32Å; K177-L181 WeakPolarHBondContact O-CB 3.44Å; K177-L181 WeakPolarHBondContact O-CD1 3.23Å; K177-L181 WeakPolarHBondContact O-CG 3.1Å; K177-L181 PolarHBondContact O-N 3.37Å; Q178-L181 PolarHBondContact O-N 3Å; L181-F183 VanDerWaalsContact C-N 3.34Å; L181-C184 WeakPolarHBondContact O-CB 3.36Å; L181-C184 PolarHBondContact O-N 3.04Å; L181-A185 PolarHBondContact O-N 3.3Å; L181-M352 HydrophobicContact CD2-CG 4.11Å; L181-A356 HydrophobicContact CD2-CB 4.25Å; L181-N359 HydrophobicContact CD1-CB 4.14Å; L181-F360 HydrophobicContact CB-CE2 3.77Å; L181-F360 HydrophobicContact CB-CZ 4.4Å; L181-F360 HydrophobicContact CD1-CE2 4.3Å
182Q91.3Very high85.8Confident56 Ų5630.4 Ų30.426%0.26217%0.168SC..Hα-helixtrans-60.4-44.6173.8173.7-84.9-23.900110.6Q178 A179 T180 C184 A185 V186 S224Q178-Q182 WeakPolarHBondContact O-CB 3.35Å; Q178-Q182 PolarHBondContact O-N 3.41Å; A179-Q182 PolarHBondContact O-N 2.88Å; A179-Q182 PolarHBondContact O-OE1 3.26Å; T180-Q182 VanDerWaalsContact C-N 3.32Å; T180-Q182 PolarHBondContact O-N 3.02Å; Q182-C184 VanDerWaalsContact C-N 3.34Å; Q182-C184 PolarHBondContact O-N 3.04Å; Q182-A185 PolarHBondContact O-N 3.19Å; Q182-V186 HydrophobicContact CG-CG2 4.3Å; Q182-V186 VanDerWaalsContact NE2-CG2 3.26Å; Q182-V186 WeakPolarHBondContact O-CB 3.47Å; Q182-V186 WeakPolarHBondContact O-CG2 3.13Å; Q182-V186 PolarHBondContact O-N 3.08Å; Q182-S224 PolarHBondContact NE2-OG 3.38Å; Q182-S224 PolarHBondContact OE1-OG 3.37Å
183F88.9Confident86.3Confident1 Ų132.8 Ų32.80%0.00418%0.181CC..Hα-helixtrans-61.7-41.7174.3178.4-111.3000112.3A123 I126 A179 T180 L181 A185 V186 K187 Y221 V225 A228A123-F183 HydrophobicContact CB-CD1 4.01Å; A123-F183 HydrophobicContact CB-CE1 3.9Å; I126-F183 HydrophobicContact CD1-CD1 4.03Å; I126-F183 HydrophobicContact CD1-CE1 3.57Å; I126-F183 HydrophobicContact CD1-CZ 4.41Å; A179-F183 PolarHBondContact O-N 3.29Å; A179-F183 VanDerWaalsContact O-N 3.14Å; T180-F183 PolarHBondContact O-N 3.28Å; L181-F183 VanDerWaalsContact C-N 3.34Å; F183-A185 VanDerWaalsContact C-N 3.26Å; F183-A185 PolarHBondContact O-N 3.12Å; F183-V186 PolarHBondContact O-N 3.49Å; F183-K187 HydrophobicContact CE1-CD 4.01Å; F183-K187 HydrophobicContact CE2-CD 3.86Å; F183-K187 HydrophobicContact CZ-CD 3.44Å; F183-K187 VanDerWaalsContact CZ-CD 3.44Å; F183-K187 WeakPolarHBondContact O-CB 3.5Å; F183-K187 PolarHBondContact O-N 2.87Å; F183-Y221 HydrophobicContact CE2-CD2 4.3Å; F183-Y221 AromaticContact CE2-CE2 3.9Å; F183-Y221 HydrophobicContact CE2-CE2 3.9Å; F183-Y221 HydrophobicContact CZ-CE2 4.17Å; F183-V225 HydrophobicContact CD2-CB 4.18Å; F183-V225 HydrophobicContact CE1-CG2 4.45Å; F183-V225 HydrophobicContact CE2-CB 3.52Å; F183-V225 HydrophobicContact CE2-CG2 3.75Å; F183-V225 HydrophobicContact CZ-CB 3.98Å; F183-V225 HydrophobicContact CZ-CG2 3.65Å; F183-A228 HydrophobicContact CB-CB 3.59Å; F183-A228 HydrophobicContact CD1-CB 4.36Å; F183-A228 HydrophobicContact CG-CB 3.98Å
184C87.6Confident86.5Confident14 Ų1432.9 Ų32.910%0.09518%0.182CC..Hα-helixtrans-62.8-30.2177.3-63.20000114A123 Y127 T180 L181 Q182 P188 M352A123-C184 HydrophobicContact CB-CB 4.39Å; A123-C184 PolarHBondContact O-SG 2.94Å; Y127-C184 VanDerWaalsContact CB-SG 3.52Å; T180-C184 PolarHBondContact O-N 2.93Å; T180-C184 VanDerWaalsContact O-N 3.07Å; T180-C184 PolarHBondContact O-SG 3.16Å; L181-C184 WeakPolarHBondContact O-CB 3.36Å; L181-C184 PolarHBondContact O-N 3.04Å; Q182-C184 VanDerWaalsContact C-N 3.34Å; Q182-C184 PolarHBondContact O-N 3.04Å; C184-P188 WeakPolarHBondContact O-CD 3.44Å; C184-P188 VanDerWaalsContact O-CG 3.31Å; C184-P188 WeakPolarHBondContact O-CG 3.27Å; C184-M352 HydrophobicContact CB-SD 4.1Å
185A88.3Confident86.7Confident51 Ų5133 Ų3342%0.42119%0.186SC..Hα-helixtrans-84.2-41.7175.100000112.1L181 Q182 F183 K187 P188 I189L181-A185 PolarHBondContact O-N 3.3Å; Q182-A185 PolarHBondContact O-N 3.19Å; F183-A185 VanDerWaalsContact C-N 3.26Å; F183-A185 PolarHBondContact O-N 3.12Å; A185-K187 VanDerWaalsContact C-N 3.35Å; A185-K187 PolarHBondContact O-N 2.62Å; A185-P188 WeakPolarHBondContact O-CD 3.44Å; A185-P188 WeakPolarHBondContact O-CG 3.24Å; A185-I189 VanDerWaalsContact O-CD1 3.3Å; A185-I189 WeakPolarHBondContact O-CD1 3.06Å; A185-I189 VanDerWaalsContact O-CG1 3.23Å; A185-I189 WeakPolarHBondContact O-CG1 3.46Å; A185-I189 PolarHBondContact O-N 2.91Å
186V89Confident86.7Confident28 Ų2833.2 Ų33.217%0.1719%0.19CC..Hα-helixtrans-64.9-39.7-178.1165.70000111.4Q182 F183 I189 M190 I220Q182-V186 HydrophobicContact CG-CG2 4.3Å; Q182-V186 VanDerWaalsContact NE2-CG2 3.26Å; Q182-V186 WeakPolarHBondContact O-CB 3.47Å; Q182-V186 WeakPolarHBondContact O-CG2 3.13Å; Q182-V186 PolarHBondContact O-N 3.08Å; F183-V186 PolarHBondContact O-N 3.49Å; V186-I189 PolarHBondContact O-N 2.89Å; V186-M190 HydrophobicContact CG1-CE 4.15Å; V186-M190 HydrophobicContact CG1-CG 3.79Å; V186-M190 VanDerWaalsContact O-CG 3.28Å; V186-M190 WeakPolarHBondContact O-CG 3.15Å; V186-M190 PolarHBondContact O-N 3.27Å; V186-I220 HydrophobicContact CG1-CG2 4.26Å
187K85.9Confident86.7Confident5 Ų535.5 Ų35.52%0.02220%0.202CC..Hα-helixtrans-59.8-52.5-175.9-157.4148.7-173.1-1670114.2D119 E122 A123 F183 A185 I189 M190 A191 Y221D119-K187 VanDerWaalsContact CA-CE 3.49Å; D119-K187 HydrophobicContact CB-CD 4.42Å; D119-K187 VanDerWaalsContact CB-CE 3.47Å; D119-K187 HydrophobicContact CB-CG 4.24Å; D119-K187 WeakPolarHBondContact O-CD 3.21Å; D119-K187 WeakPolarHBondContact O-CE 3.46Å; D119-K187 WeakPolarHBondContact O-CG 3.02Å; D119-K187 PolarHBondContact O-NZ 2.96Å; D119-K187 VanDerWaalsContact OD1-CE 3.22Å; D119-K187 WeakPolarHBondContact OD1-CE 3.03Å; D119-K187 IonicContact OD1-NZ 2.84Å; D119-K187 PolarHBondContact OD1-NZ 3.2Å; D119-K187 VanDerWaalsContact OD1-NZ 3.17Å; E122-K187 VanDerWaalsContact CB-NZ 3.34Å; E122-K187 IonicContact OE1-NZ 3.32Å; E122-K187 PolarHBondContact OE1-NZ 2.97Å; E122-K187 IonicContact OE2-NZ 3.17Å; E122-K187 PolarHBondContact OE2-NZ 2.93Å; A123-K187 HydrophobicContact CB-CB 3.97Å; A123-K187 HydrophobicContact CB-CD 4.01Å; A123-K187 HydrophobicContact CB-CG 4.4Å; F183-K187 HydrophobicContact CE1-CD 4.01Å; F183-K187 HydrophobicContact CE2-CD 3.86Å; F183-K187 HydrophobicContact CZ-CD 3.44Å; F183-K187 VanDerWaalsContact CZ-CD 3.44Å; F183-K187 WeakPolarHBondContact O-CB 3.5Å; F183-K187 PolarHBondContact O-N 2.87Å; A185-K187 VanDerWaalsContact C-N 3.35Å; A185-K187 PolarHBondContact O-N 2.62Å; K187-I189 VanDerWaalsContact C-N 3.3Å; K187-I189 PolarHBondContact O-N 3.47Å; K187-M190 PolarHBondContact O-N 3.01Å; K187-A191 PolarHBondContact O-N 3.44Å; K187-Y221 HydrophobicContact CD-CE2 3.99Å; K187-Y221 VanDerWaalsContact CE-CE2 3.47Å; K187-Y221 PolarHBondContact NZ-OH 2.84Å
188P86.9Confident86.4Confident52 Ų5236.6 Ų36.634%0.33821%0.207SC..Hα-helixtrans-65-31.8175.124.6-33.9000113.1C184 A185 A191 A192C184-P188 WeakPolarHBondContact O-CD 3.44Å; C184-P188 VanDerWaalsContact O-CG 3.31Å; C184-P188 WeakPolarHBondContact O-CG 3.27Å; A185-P188 WeakPolarHBondContact O-CD 3.44Å; A185-P188 WeakPolarHBondContact O-CG 3.24Å; P188-A191 PolarHBondContact O-N 3.14Å; P188-A192 WeakPolarHBondContact O-CB 3.18Å; P188-A192 PolarHBondContact O-N 3.09Å
189I89Confident86.2Confident93 Ų9337.7 Ų37.748%0.47723%0.228SC..Hα-helixtrans-64.5-44.7174-66.7168.8000110.1A185 V186 K187 A192 I193A185-I189 VanDerWaalsContact O-CD1 3.3Å; A185-I189 WeakPolarHBondContact O-CD1 3.06Å; A185-I189 VanDerWaalsContact O-CG1 3.23Å; A185-I189 WeakPolarHBondContact O-CG1 3.46Å; A185-I189 PolarHBondContact O-N 2.91Å; V186-I189 PolarHBondContact O-N 2.89Å; K187-I189 VanDerWaalsContact C-N 3.3Å; K187-I189 PolarHBondContact O-N 3.47Å; I189-A192 PolarHBondContact O-N 3.12Å; I189-I193 HydrophobicContact CG2-CD1 3.8Å; I189-I193 HydrophobicContact CG2-CG1 4.45Å; I189-I193 WeakPolarHBondContact O-CB 3.39Å; I189-I193 VanDerWaalsContact O-CG1 3.24Å; I189-I193 WeakPolarHBondContact O-CG1 3.3Å; I189-I193 PolarHBondContact O-N 3.35Å
190M86Confident86Confident28 Ų2845 Ų4514%0.13826%0.259CS..Hα-helixtrans-65-39176.6-67.5-57.7126.900111.7V186 K187 I193 T194 I217 I220V186-M190 HydrophobicContact CG1-CE 4.15Å; V186-M190 HydrophobicContact CG1-CG 3.79Å; V186-M190 VanDerWaalsContact O-CG 3.28Å; V186-M190 WeakPolarHBondContact O-CG 3.15Å; V186-M190 PolarHBondContact O-N 3.27Å; K187-M190 PolarHBondContact O-N 3.01Å; M190-I193 HydrophobicContact CE-CD1 4.03Å; M190-I193 PolarHBondContact O-N 2.97Å; M190-I193 HydrophobicContact SD-CD1 4.38Å; M190-T194 WeakPolarHBondContact O-CB 3.1Å; M190-T194 PolarHBondContact O-N 3.42Å; M190-T194 PolarHBondContact O-OG1 3.34Å; M190-I217 HydrophobicContact CB-CG2 4.48Å; M190-I220 HydrophobicContact CE-CG2 3.92Å; M190-I220 HydrophobicContact SD-CB 4.39Å; M190-I220 HydrophobicContact SD-CD1 4.49Å; M190-I220 HydrophobicContact SD-CG2 3.95Å
191A84.5Confident85.4Confident9 Ų947.1 Ų47.17%0.07428%0.28CS..Hα-helixtrans-61.4-45.4173.600000111.7K187 P188 I193 T194 I195K187-A191 PolarHBondContact O-N 3.44Å; P188-A191 PolarHBondContact O-N 3.14Å; A191-I193 PolarHBondContact O-N 3.38Å; A191-T194 WeakPolarHBondContact O-CB 3.11Å; A191-T194 PolarHBondContact O-N 3.01Å; A191-I195 WeakPolarHBondContact O-CG1 3.23Å; A191-I195 PolarHBondContact O-N 3.28Å
192A87.4Confident85Confident48 Ų4853.4 Ų53.440%0.39731%0.307SS..Hα-helixtrans-62.7-43.3176.200000112.4P188 I189 T194 I195 I196P188-A192 WeakPolarHBondContact O-CB 3.18Å; P188-A192 PolarHBondContact O-N 3.09Å; I189-A192 PolarHBondContact O-N 3.12Å; A192-T194 VanDerWaalsContact C-N 3.3Å; A192-T194 PolarHBondContact O-N 3.03Å; A192-I195 PolarHBondContact O-N 3.05Å; A192-I196 VanDerWaalsContact O-CG1 3.27Å; A192-I196 WeakPolarHBondContact O-CG1 3.3Å; A192-I196 PolarHBondContact O-N 3.07Å
193I87.3Confident84.1Confident61 Ų6152 Ų5231%0.31330%0.3SS..Hα-helixtrans-60.1-43.2174.4-70.8169.4000110.1I189 M190 A191 I196 L197 I217I189-I193 HydrophobicContact CG2-CD1 3.8Å; I189-I193 HydrophobicContact CG2-CG1 4.45Å; I189-I193 WeakPolarHBondContact O-CB 3.39Å; I189-I193 VanDerWaalsContact O-CG1 3.24Å; I189-I193 WeakPolarHBondContact O-CG1 3.3Å; I189-I193 PolarHBondContact O-N 3.35Å; M190-I193 HydrophobicContact CE-CD1 4.03Å; M190-I193 PolarHBondContact O-N 2.97Å; M190-I193 HydrophobicContact SD-CD1 4.38Å; A191-I193 PolarHBondContact O-N 3.38Å; I193-I196 PolarHBondContact O-N 3.26Å; I193-L197 HydrophobicContact CG2-CD1 3.65Å; I193-L197 WeakPolarHBondContact O-CD1 3.34Å; I193-L197 PolarHBondContact O-N 3.49Å; I193-I217 HydrophobicContact CG2-CD1 4.27Å; I193-I217 HydrophobicContact CG2-CG1 4.48Å
194T83.2Confident83Confident12 Ų1257.6 Ų57.67%0.07433%0.326CS..Hα-helixtrans-58.2-50.2178-59.60000111.6V112 M190 A191 A192 I196 L197 Q198 Y203V112-T194 HydrophobicContact CG1-CG2 4.31Å; M190-T194 WeakPolarHBondContact O-CB 3.1Å; M190-T194 PolarHBondContact O-N 3.42Å; M190-T194 PolarHBondContact O-OG1 3.34Å; A191-T194 WeakPolarHBondContact O-CB 3.11Å; A191-T194 PolarHBondContact O-N 3.01Å; A192-T194 VanDerWaalsContact C-N 3.3Å; A192-T194 PolarHBondContact O-N 3.03Å; T194-I196 VanDerWaalsContact C-N 3.3Å; T194-I196 PolarHBondContact O-N 3.42Å; T194-L197 PolarHBondContact O-N 2.84Å; T194-Q198 WeakPolarHBondContact O-CB 3.46Å; T194-Q198 PolarHBondContact O-N 2.9Å; T194-Y203 HydrophobicContact CG2-CD1 3.98Å; T194-Y203 HydrophobicContact CG2-CD2 4.08Å; T194-Y203 HydrophobicContact CG2-CE1 3.53Å; T194-Y203 HydrophobicContact CG2-CE2 3.64Å; T194-Y203 HydrophobicContact CG2-CG 4.22Å
195I83.9Confident81.9Confident58 Ų5859.5 Ų59.530%0.29734%0.335SS..Hα-helixtrans-59.1-42.2177.6-65.9166.9000111A191 A192 Q198 A199A191-I195 WeakPolarHBondContact O-CG1 3.23Å; A191-I195 PolarHBondContact O-N 3.28Å; A192-I195 PolarHBondContact O-N 3.05Å; I195-Q198 PolarHBondContact O-N 3.16Å; I195-A199 PolarHBondContact O-N 3.41Å
196I85.9Confident80.7Confident89 Ų8957.3 Ų57.346%0.45632%0.317SS..Hα-helixtrans-64.6-47.3177.9-67.9166.2000110.8A192 I193 T194 Q198 A199 F200A192-I196 VanDerWaalsContact O-CG1 3.27Å; A192-I196 WeakPolarHBondContact O-CG1 3.3Å; A192-I196 PolarHBondContact O-N 3.07Å; I193-I196 PolarHBondContact O-N 3.26Å; T194-I196 VanDerWaalsContact C-N 3.3Å; T194-I196 PolarHBondContact O-N 3.42Å; I196-Q198 VanDerWaalsContact C-N 3.28Å; I196-Q198 PolarHBondContact O-N 2.72Å; I196-A199 WeakPolarHBondContact O-CB 3.26Å; I196-A199 PolarHBondContact O-N 2.93Å; I196-F200 HydrophobicContact CG2-CD2 3.83Å; I196-F200 HydrophobicContact CG2-CE2 3.63Å; I196-F200 WeakPolarHBondContact O-CD2 3.44Å; I196-F200 PolarHBondContact O-N 2.97Å
197L83Confident79.7Confident47 Ų4758.6 Ų58.625%0.24632%0.323CS..Hα-helixtrans-67.1-32.1-179.5-88.870.2000112.1I193 T194 F200 G201 K202 Y203 I217I193-L197 HydrophobicContact CG2-CD1 3.65Å; I193-L197 WeakPolarHBondContact O-CD1 3.34Å; I193-L197 PolarHBondContact O-N 3.49Å; T194-L197 PolarHBondContact O-N 2.84Å; L197-F200 PolarHBondContact O-N 3.45Å; L197-G201 PolarHBondContact O-N 2.86Å; L197-K202 PolarHBondContact O-N 2.99Å; L197-Y203 PolarHBondContact O-N 3.31Å; L197-I217 HydrophobicContact CD2-CD1 4.39Å
198Q78.6Confident78.8Confident37 Ų3761.4 Ų61.417%0.17334%0.335CS..Hα-helixtrans-65.8-43.2172.5-169.7177.810.600111.3V112 T194 I195 I196 F200 G201 Y203V112-Q198 VanDerWaalsContact CG1-OE1 3.28Å; T194-Q198 WeakPolarHBondContact O-CB 3.46Å; T194-Q198 PolarHBondContact O-N 2.9Å; I195-Q198 PolarHBondContact O-N 3.16Å; I196-Q198 VanDerWaalsContact C-N 3.28Å; I196-Q198 PolarHBondContact O-N 2.72Å; Q198-F200 PolarHBondContact O-N 3.45Å; Q198-G201 PolarHBondContact O-N 2.83Å; Q198-Y203 HydrophobicContact CB-CD1 4.45Å
199A81.4Confident78.1Confident89 Ų8962.8 Ų62.874%0.73634%0.34SS*.Hα-helixtrans-60.3-30175.100000113.1I195 I196I195-A199 PolarHBondContact O-N 3.41Å; I196-A199 WeakPolarHBondContact O-CB 3.26Å; I196-A199 PolarHBondContact O-N 2.93Å
200F83.9Confident77.4Confident160 Ų16062.7 Ų62.770%0.70234%0.344SS*.THydrogen-bonded Turntrans-86.60.9173.9-71.8-66.5000114.4I196 L197 Q198 K202I196-F200 HydrophobicContact CG2-CD2 3.83Å; I196-F200 HydrophobicContact CG2-CE2 3.63Å; I196-F200 WeakPolarHBondContact O-CD2 3.44Å; I196-F200 PolarHBondContact O-N 2.97Å; L197-F200 PolarHBondContact O-N 3.45Å; Q198-F200 PolarHBondContact O-N 3.45Å; F200-K202 HydrophobicContact CB-CG 4.39Å; F200-K202 PolarHBondContact O-N 3.39Å
201G75.6Confident76.8Confident44 Ų4468.1 Ų68.145%0.45437%0.373SS..THydrogen-bonded Turntrans65.920.3-177.200000114.2L197 Q198 H204L197-G201 PolarHBondContact O-N 2.86Å; Q198-G201 PolarHBondContact O-N 2.83Å; G201-H204 PolarHBondContact O-CE1 2.84Å
202K78.4Confident76.4Confident139 Ų13968.2 Ų68.260%0.60438%0.375SS*.  trans-101.42.2179.6-67-65.4-173179.60113.2L197 F200 G213L197-K202 PolarHBondContact O-N 2.99Å; F200-K202 HydrophobicContact CB-CG 4.39Å; F200-K202 PolarHBondContact O-N 3.39Å; K202-G213 PolarHBondContact O-N 3.46Å
203Y70.9Confident76Confident27 Ų2766.4 Ų66.411%0.10636%0.361CS..  trans-118.8121.2174.9-171.6-94000109.3T194 L197 Q198 D205 Y214 I217T194-Y203 HydrophobicContact CG2-CD1 3.98Å; T194-Y203 HydrophobicContact CG2-CD2 4.08Å; T194-Y203 HydrophobicContact CG2-CE1 3.53Å; T194-Y203 HydrophobicContact CG2-CE2 3.64Å; T194-Y203 HydrophobicContact CG2-CG 4.22Å; L197-Y203 PolarHBondContact O-N 3.31Å; Q198-Y203 HydrophobicContact CB-CD1 4.45Å; Y203-D205 WeakPolarHBondContact CE1-OD1 3.21Å; Y203-D205 PolarHBondContact OH-OD1 3.49Å; Y203-Y214 HydrophobicContact CE1-CD2 4.44Å; Y203-Y214 AromaticContact CE2-CD2 3.82Å; Y203-Y214 HydrophobicContact CE2-CD2 3.82Å; Y203-Y214 HydrophobicContact CE2-CG 4.4Å; Y203-Y214 AromaticContact CZ-CD2 3.66Å; Y203-Y214 WeakPolarHBondContact OH-CD2 3.39Å; Y203-I217 HydrophobicContact CD2-CD1 3.87Å; Y203-I217 HydrophobicContact CE2-CD1 3.7Å
204H66.3Low75.5Confident118 Ų11865.1 Ų65.155%0.54635%0.353SS..  trans-130.6123169.7-68.684.3000106.5G201 G206 D207G201-H204 PolarHBondContact O-CE1 2.84Å; H204-G206 PolarHBondContact O-N 2.98Å; H204-D207 HydrophobicContact CB-CB 4.05Å; H204-D207 PolarHBondContact O-N 2.98Å; H204-D207 VanDerWaalsContact O-N 3.15Å
205D64.9Low75.4Confident55 Ų5566.2 Ų66.229%0.29436%0.358SS..THydrogen-bonded Turntrans-58.2135.4176.6-73-59.8000110.3Y203 D207Y203-D205 WeakPolarHBondContact CE1-OD1 3.21Å; Y203-D205 PolarHBondContact OH-OD1 3.49Å; D205-D207 VanDerWaalsContact C-N 3.26Å; D205-D207 PolarHBondContact O-N 3.1Å
206G63Low75.4Confident4 Ų469.3 Ų69.34%0.04137%0.366CS..THydrogen-bonded Turntrans81.4-6.9-177.800000115.2H204 F208 E273 R274H204-G206 PolarHBondContact O-N 2.98Å; G206-F208 WeakPolarHBondContact O-CD2 3.26Å; G206-F208 PolarHBondContact O-N 3.18Å; G206-E273 VanDerWaalsContact CA-OE2 3.26Å; G206-E273 WeakPolarHBondContact CA-OE2 3.12Å; G206-R274 PolarHBondContact O-NE 2.79Å; G206-R274 PolarHBondContact O-NH2 3Å
207D68.4Low75.3Confident56 Ų5665.9 Ų65.930%0.29935%0.349SS..  trans-89.893.3178.3-164.815.6000114.2H204 D205 N209 R274H204-D207 HydrophobicContact CB-CB 4.05Å; H204-D207 PolarHBondContact O-N 2.98Å; H204-D207 VanDerWaalsContact O-N 3.15Å; D205-D207 VanDerWaalsContact C-N 3.26Å; D205-D207 PolarHBondContact O-N 3.1Å; D207-N209 PolarHBondContact O-N 3.2Å; D207-N209 WeakPolarHBondContact OD1-CB 3.15Å; D207-N209 PolarHBondContact OD1-N 3.18Å; D207-N209 VanDerWaalsContact OD1-N 3.11Å; D207-R274 VanDerWaalsContact CA-NH2 3.32Å; D207-R274 IonicContact OD1-NH2 2.74Å; D207-R274 PolarHBondContact OD1-NH2 3.25Å
208F66.5Low75.1Confident63 Ų6364.7 Ų64.728%0.27634%0.343SS..  trans-76.221.7170.9-65.1-91.4000114.6G206 Y214 L215 T218 A270 R274G206-F208 WeakPolarHBondContact O-CD2 3.26Å; G206-F208 PolarHBondContact O-N 3.18Å; F208-Y214 HydrophobicContact CD1-CD1 4.46Å; F208-Y214 HydrophobicContact CD1-CE1 4.38Å; F208-Y214 HydrophobicContact CD2-CD1 4.48Å; F208-Y214 HydrophobicContact CD2-CE1 4.17Å; F208-Y214 HydrophobicContact CE1-CD1 4.45Å; F208-Y214 AromaticContact CE1-CE1 3.97Å; F208-Y214 HydrophobicContact CE1-CE1 3.97Å; F208-Y214 AromaticContact CE2-CE1 3.78Å; F208-Y214 HydrophobicContact CE2-CE1 3.78Å; F208-Y214 HydrophobicContact CG-CE1 4.49Å; F208-Y214 AromaticContact CZ-CE1 3.68Å; F208-Y214 HydrophobicContact CZ-CE1 3.68Å; F208-L215 HydrophobicContact CB-CD1 4.21Å; F208-L215 HydrophobicContact CD1-CD1 4.45Å; F208-L215 VanDerWaalsContact O-CD1 3.25Å; F208-L215 WeakPolarHBondContact O-CD1 3.4Å; F208-T218 HydrophobicContact CE1-CG2 4.31Å; F208-A270 HydrophobicContact CE2-CB 4.35Å; F208-A270 HydrophobicContact CZ-CB 4.37Å; F208-R274 HydrophobicContact CD2-CG 4.23Å; F208-R274 VanDerWaalsContact CD2-NE 3.33Å; F208-R274 HydrophobicContact CE2-CG 4.28Å
209N72.9Confident75.4Confident82 Ų8267.8 Ų67.844%0.43936%0.36SS..  trans-63138.9171.1-163.9-18.3000110.2D207 N211 G212D207-N209 PolarHBondContact O-N 3.2Å; D207-N209 WeakPolarHBondContact OD1-CB 3.15Å; D207-N209 PolarHBondContact OD1-N 3.18Å; D207-N209 VanDerWaalsContact OD1-N 3.11Å; N209-N211 PolarHBondContact O-N 3.47Å; N209-N211 VanDerWaalsContact O-N 3.14Å; N209-N211 PolarHBondContact OD1-N 2.95Å; N209-G212 PolarHBondContact O-N 3.27Å
210V74.3Confident75.7Confident91 Ų9167.3 Ų67.355%0.55234%0.344SS*.THydrogen-bonded Turntrans-61-24.7178.8-175.30000111.3G212 Y216V210-G212 VanDerWaalsContact C-N 3.33Å; V210-Y216 VanDerWaalsContact O-CE2 3.31Å; V210-Y216 WeakPolarHBondContact O-CE2 3.28Å; V210-Y216 PolarHBondContact O-OH 3.22Å
211N73.2Confident75.6Confident141 Ų14161.5 Ų61.575%0.75432%0.318SS*.THydrogen-bonded Turntrans-84.4-5.5177.3-68.541.7000113.6N209N209-N211 PolarHBondContact O-N 3.47Å; N209-N211 VanDerWaalsContact O-N 3.14Å; N209-N211 PolarHBondContact OD1-N 2.95Å
212G74.5Confident76Confident12 Ų1261.2 Ų61.212%0.12431%0.306CS..SBendtrans-100.2149.8-178.400000112.9N209 V210 Y214 Y216N209-G212 PolarHBondContact O-N 3.27Å; V210-G212 VanDerWaalsContact C-N 3.33Å; G212-Y214 VanDerWaalsContact C-N 3.34Å; G212-Y214 PolarHBondContact O-N 3.08Å; G212-Y216 WeakPolarHBondContact O-CD2 3.41Å
213G79.4Confident76.3Confident9 Ų961.6 Ų61.69%0.09331%0.308CS..Hα-helixtrans-69.8-28.2179.900000114.9K202 L215 Y216 I217K202-G213 PolarHBondContact O-N 3.46Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 3.38Å; G213-Y216 PolarHBondContact O-N 2.98Å; G213-I217 WeakPolarHBondContact O-CG1 3.43Å; G213-I217 PolarHBondContact O-N 3.36Å; G213-I217 VanDerWaalsContact O-N 3.07Å
214Y77.6Confident77.2Confident35 Ų3560.4 Ų60.414%0.13730%0.303CS..Hα-helixtrans-58.4-42.3-173.1-180-93.2000112.6Y203 F208 G212 Y216 T218Y203-Y214 HydrophobicContact CE1-CD2 4.44Å; Y203-Y214 AromaticContact CE2-CD2 3.82Å; Y203-Y214 HydrophobicContact CE2-CD2 3.82Å; Y203-Y214 HydrophobicContact CE2-CG 4.4Å; Y203-Y214 AromaticContact CZ-CD2 3.66Å; Y203-Y214 WeakPolarHBondContact OH-CD2 3.39Å; F208-Y214 HydrophobicContact CD1-CD1 4.46Å; F208-Y214 HydrophobicContact CD1-CE1 4.38Å; F208-Y214 HydrophobicContact CD2-CD1 4.48Å; F208-Y214 HydrophobicContact CD2-CE1 4.17Å; F208-Y214 HydrophobicContact CE1-CD1 4.45Å; F208-Y214 AromaticContact CE1-CE1 3.97Å; F208-Y214 HydrophobicContact CE1-CE1 3.97Å; F208-Y214 AromaticContact CE2-CE1 3.78Å; F208-Y214 HydrophobicContact CE2-CE1 3.78Å; F208-Y214 HydrophobicContact CG-CE1 4.49Å; F208-Y214 AromaticContact CZ-CE1 3.68Å; F208-Y214 HydrophobicContact CZ-CE1 3.68Å; G212-Y214 VanDerWaalsContact C-N 3.34Å; G212-Y214 PolarHBondContact O-N 3.08Å; Y214-Y216 PolarHBondContact O-N 3.36Å; Y214-T218 VanDerWaalsContact O-CB 3.23Å; Y214-T218 WeakPolarHBondContact O-CB 3.32Å; Y214-T218 PolarHBondContact O-N 3.12Å; Y214-T218 PolarHBondContact O-OG1 3.49Å
215L80.9Confident78Confident35 Ų3555.1 Ų55.118%0.18328%0.279CS..Hα-helixtrans-60.3-47.6178-179.4142.5000112.4F208 G213 T218 I219F208-L215 HydrophobicContact CB-CD1 4.21Å; F208-L215 HydrophobicContact CD1-CD1 4.45Å; F208-L215 VanDerWaalsContact O-CD1 3.25Å; F208-L215 WeakPolarHBondContact O-CD1 3.4Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 3.38Å; L215-T218 PolarHBondContact O-N 3.35Å; L215-I219 HydrophobicContact CD2-CD1 3.59Å; L215-I219 HydrophobicContact CG-CD1 4.09Å; L215-I219 WeakPolarHBondContact O-CG1 3.01Å; L215-I219 PolarHBondContact O-N 2.94Å
216Y84.7Confident78.9Confident122 Ų12255.9 Ų55.948%0.47829%0.289SS..Hα-helixtrans-67.7-44.2-178.2-66-77.7000111.9V210 G212 G213 Y214 T218 I219 I220V210-Y216 VanDerWaalsContact O-CE2 3.31Å; V210-Y216 WeakPolarHBondContact O-CE2 3.28Å; V210-Y216 PolarHBondContact O-OH 3.22Å; G212-Y216 WeakPolarHBondContact O-CD2 3.41Å; G213-Y216 PolarHBondContact O-N 2.98Å; Y214-Y216 PolarHBondContact O-N 3.36Å; Y216-T218 VanDerWaalsContact C-N 3.3Å; Y216-T218 PolarHBondContact O-N 3.26Å; Y216-I219 PolarHBondContact O-N 3.26Å; Y216-I220 VanDerWaalsContact O-CG1 3.31Å; Y216-I220 WeakPolarHBondContact O-CG1 3.18Å; Y216-I220 PolarHBondContact O-N 2.88Å
217I83.4Confident79.9Confident18 Ų1858 Ų589%0.09230%0.3CS..Hα-helixtrans-59.4-46.2176.2-68.5161.8000109.5M190 I193 L197 Y203 G213 I219 I220 Y221M190-I217 HydrophobicContact CB-CG2 4.48Å; I193-I217 HydrophobicContact CG2-CD1 4.27Å; I193-I217 HydrophobicContact CG2-CG1 4.48Å; L197-I217 HydrophobicContact CD2-CD1 4.39Å; Y203-I217 HydrophobicContact CD2-CD1 3.87Å; Y203-I217 HydrophobicContact CE2-CD1 3.7Å; G213-I217 WeakPolarHBondContact O-CG1 3.43Å; G213-I217 PolarHBondContact O-N 3.36Å; G213-I217 VanDerWaalsContact O-N 3.07Å; I217-I219 PolarHBondContact O-N 2.91Å; I217-I220 PolarHBondContact O-N 3.38Å; I217-Y221 WeakPolarHBondContact O-CB 3.44Å; I217-Y221 PolarHBondContact O-N 3.42Å
218T78.9Confident80.7Confident21 Ų2155.4 Ų55.413%0.12929%0.285CS..Hα-helixtrans-60.5-44.7178.5-60.50000112F208 Y214 L215 Y216 N222F208-T218 HydrophobicContact CE1-CG2 4.31Å; Y214-T218 VanDerWaalsContact O-CB 3.23Å; Y214-T218 WeakPolarHBondContact O-CB 3.32Å; Y214-T218 PolarHBondContact O-N 3.12Å; Y214-T218 PolarHBondContact O-OG1 3.49Å; L215-T218 PolarHBondContact O-N 3.35Å; Y216-T218 VanDerWaalsContact C-N 3.3Å; Y216-T218 PolarHBondContact O-N 3.26Å; T218-N222 WeakPolarHBondContact CG2-ND2 3.41Å; T218-N222 VanDerWaalsContact O-CB 3.29Å; T218-N222 WeakPolarHBondContact O-CB 3.34Å; T218-N222 PolarHBondContact O-N 2.97Å; T218-N222 PolarHBondContact O-ND2 3.14Å
219I83.9Confident81.4Confident103 Ų10353.5 Ų53.553%0.52828%0.278SS..Hα-helixtrans-65.3-48.7179.1-69.9169.5000111.4L215 Y216 I217 Y221 N222 F223L215-I219 HydrophobicContact CD2-CD1 3.59Å; L215-I219 HydrophobicContact CG-CD1 4.09Å; L215-I219 WeakPolarHBondContact O-CG1 3.01Å; L215-I219 PolarHBondContact O-N 2.94Å; Y216-I219 PolarHBondContact O-N 3.26Å; I217-I219 PolarHBondContact O-N 2.91Å; I219-Y221 VanDerWaalsContact C-N 3.3Å; I219-Y221 PolarHBondContact O-N 3.5Å; I219-N222 PolarHBondContact O-N 3.38Å; I219-F223 WeakPolarHBondContact O-CB 3.38Å; I219-F223 PolarHBondContact O-N 3.41Å
220I87.4Confident81.7Confident78 Ų7853 Ų5340%0.427%0.271SS..Hα-helixtrans-61.1-44.3179.9-67.5167.6000109.9V186 M190 Y216 I217 F223 S224V186-I220 HydrophobicContact CG1-CG2 4.26Å; M190-I220 HydrophobicContact CE-CG2 3.92Å; M190-I220 HydrophobicContact SD-CB 4.39Å; M190-I220 HydrophobicContact SD-CD1 4.49Å; M190-I220 HydrophobicContact SD-CG2 3.95Å; Y216-I220 VanDerWaalsContact O-CG1 3.31Å; Y216-I220 WeakPolarHBondContact O-CG1 3.18Å; Y216-I220 PolarHBondContact O-N 2.88Å; I217-I220 PolarHBondContact O-N 3.38Å; I220-F223 PolarHBondContact O-N 3.18Å; I220-S224 VanDerWaalsContact O-CB 3.25Å; I220-S224 WeakPolarHBondContact O-CB 3.47Å; I220-S224 PolarHBondContact O-N 3.02Å
221Y83.1Confident82.1Confident39 Ų3948.7 Ų48.715%0.15324%0.244CC..Hα-helixtrans-58.4-52.5176.3172.1-114.5000111.9E122 F183 K187 I217 I219 F223 S224 V225 F263E122-Y221 PolarHBondContact OE1-OH 3.33Å; F183-Y221 HydrophobicContact CE2-CD2 4.3Å; F183-Y221 AromaticContact CE2-CE2 3.9Å; F183-Y221 HydrophobicContact CE2-CE2 3.9Å; F183-Y221 HydrophobicContact CZ-CE2 4.17Å; K187-Y221 HydrophobicContact CD-CE2 3.99Å; K187-Y221 VanDerWaalsContact CE-CE2 3.47Å; K187-Y221 PolarHBondContact NZ-OH 2.84Å; I217-Y221 WeakPolarHBondContact O-CB 3.44Å; I217-Y221 PolarHBondContact O-N 3.42Å; I219-Y221 VanDerWaalsContact C-N 3.3Å; I219-Y221 PolarHBondContact O-N 3.5Å; Y221-F223 VanDerWaalsContact C-N 3.31Å; Y221-F223 PolarHBondContact O-N 3.21Å; Y221-S224 PolarHBondContact O-N 3.15Å; Y221-V225 HydrophobicContact CE2-CB 4.38Å; Y221-V225 WeakPolarHBondContact O-CG1 3.45Å; Y221-V225 PolarHBondContact O-N 3.49Å; Y221-F263 AromaticContact CE1-CD2 3.91Å; Y221-F263 HydrophobicContact CE1-CD2 3.91Å; Y221-F263 AromaticContact CE1-CE2 3.92Å; Y221-F263 HydrophobicContact CE1-CE2 3.92Å
222N83.3Confident82.5Confident37 Ų3742.4 Ų42.420%0.19821%0.211CC..Hα-helixtrans-58.2-41.5179.5-90.7-84.1000112.6T218 I219 V225 S226 F263T218-N222 WeakPolarHBondContact CG2-ND2 3.41Å; T218-N222 VanDerWaalsContact O-CB 3.29Å; T218-N222 WeakPolarHBondContact O-CB 3.34Å; T218-N222 PolarHBondContact O-N 2.97Å; T218-N222 PolarHBondContact O-ND2 3.14Å; I219-N222 PolarHBondContact O-N 3.38Å; N222-V225 WeakPolarHBondContact O-CG1 3.24Å; N222-S226 WeakPolarHBondContact O-CB 3.08Å; N222-S226 PolarHBondContact O-N 3.17Å; N222-S226 VanDerWaalsContact O-N 3.08Å; N222-S226 PolarHBondContact O-OG 2.98Å; N222-F263 WeakPolarHBondContact OD1-CE2 3.38Å; N222-F263 WeakPolarHBondContact OD1-CZ 3.32Å
223F85.9Confident82.6Confident148 Ų14844.5 Ų44.565%0.64922%0.217SC*.Hα-helixtrans-66.5-46.8176.5-178.2-97.6000111.6I219 I220 Y221 S226 L227I219-F223 WeakPolarHBondContact O-CB 3.38Å; I219-F223 PolarHBondContact O-N 3.41Å; I220-F223 PolarHBondContact O-N 3.18Å; Y221-F223 VanDerWaalsContact C-N 3.31Å; Y221-F223 PolarHBondContact O-N 3.21Å; F223-S226 PolarHBondContact O-N 2.98Å; F223-L227 WeakPolarHBondContact O-CB 3.49Å; F223-L227 PolarHBondContact O-N 2.77Å
224S88.5Confident82.5Confident1 Ų144.5 Ų44.51%0.00721%0.214CC..Hα-helixtrans-61.7-47.6-179-164.90000111.9Q182 I220 Y221 L227 A228Q182-S224 PolarHBondContact NE2-OG 3.38Å; Q182-S224 PolarHBondContact OE1-OG 3.37Å; I220-S224 VanDerWaalsContact O-CB 3.25Å; I220-S224 WeakPolarHBondContact O-CB 3.47Å; I220-S224 PolarHBondContact O-N 3.02Å; Y221-S224 PolarHBondContact O-N 3.15Å; S224-L227 PolarHBondContact O-N 3.37Å; S224-A228 PolarHBondContact O-N 3.37Å
225V83.1Confident82.6Confident7 Ų743 Ų434%0.04221%0.208CC..Hα-helixtrans-66.2-40.7178.775.40000111.4F183 Y221 N222 L227 A228 L229F183-V225 HydrophobicContact CD2-CB 4.18Å; F183-V225 HydrophobicContact CE1-CG2 4.45Å; F183-V225 HydrophobicContact CE2-CB 3.52Å; F183-V225 HydrophobicContact CE2-CG2 3.75Å; F183-V225 HydrophobicContact CZ-CB 3.98Å; F183-V225 HydrophobicContact CZ-CG2 3.65Å; Y221-V225 HydrophobicContact CE2-CB 4.38Å; Y221-V225 WeakPolarHBondContact O-CG1 3.45Å; Y221-V225 PolarHBondContact O-N 3.49Å; N222-V225 WeakPolarHBondContact O-CG1 3.24Å; V225-L227 VanDerWaalsContact C-N 3.34Å; V225-L227 PolarHBondContact O-N 2.99Å; V225-A228 PolarHBondContact O-N 2.91Å; V225-L229 HydrophobicContact CG2-CD1 3.69Å; V225-L229 HydrophobicContact CG2-CG 4.28Å; V225-L229 WeakPolarHBondContact O-CB 3.14Å; V225-L229 VanDerWaalsContact O-CG 3.24Å; V225-L229 WeakPolarHBondContact O-CG 3.48Å; V225-L229 PolarHBondContact O-N 2.92Å
226S83.3Confident82.4Confident71 Ų7143 Ų4350%0.49721%0.206SC..Hα-helixtrans-62.7-41.9177.1-63.40000111.6N222 F223 Y230N222-S226 WeakPolarHBondContact O-CB 3.08Å; N222-S226 PolarHBondContact O-N 3.17Å; N222-S226 VanDerWaalsContact O-N 3.08Å; N222-S226 PolarHBondContact O-OG 2.98Å; F223-S226 PolarHBondContact O-N 2.98Å; S226-Y230 WeakPolarHBondContact O-CB 3.24Å; S226-Y230 PolarHBondContact O-N 2.88Å
227L85.5Confident82Confident50 Ų5040.7 Ų40.726%0.26220%0.199SC..Hα-helixtrans-63.6-47.3177.2-178.365.9000111.7F175 A179 F223 S224 V225 Y230 A231F175-L227 HydrophobicContact CZ-CD1 4.18Å; A179-L227 HydrophobicContact CB-CG 4.27Å; F223-L227 WeakPolarHBondContact O-CB 3.49Å; F223-L227 PolarHBondContact O-N 2.77Å; S224-L227 PolarHBondContact O-N 3.37Å; V225-L227 VanDerWaalsContact C-N 3.34Å; V225-L227 PolarHBondContact O-N 2.99Å; L227-Y230 PolarHBondContact O-N 2.93Å; L227-A231 WeakPolarHBondContact O-CB 3.12Å; L227-A231 PolarHBondContact O-N 3.37Å
228A85.4Confident81.5Confident0 Ų040.2 Ų40.20%020%0.198CC..Hα-helixtrans-64.4-44.6179.300000112.2F183 S224 V225 Y230 A231 L232F183-A228 HydrophobicContact CB-CB 3.59Å; F183-A228 HydrophobicContact CD1-CB 4.36Å; F183-A228 HydrophobicContact CG-CB 3.98Å; S224-A228 PolarHBondContact O-N 3.37Å; V225-A228 PolarHBondContact O-N 2.91Å; A228-Y230 VanDerWaalsContact C-N 3.34Å; A228-Y230 PolarHBondContact O-N 3.22Å; A228-A231 PolarHBondContact O-N 3.28Å; A228-L232 WeakPolarHBondContact O-CB 3.23Å; A228-L232 PolarHBondContact O-N 2.86Å
229L79.6Confident81.2Confident23 Ų2339.2 Ų39.212%0.1219%0.192CC..Hα-helixtrans-68.5-34.7178.4-68.9170.3000112.3I126 V225 L232 F233 F260I126-L229 HydrophobicContact CD1-CD2 3.96Å; I126-L229 HydrophobicContact CD1-CG 4.5Å; V225-L229 HydrophobicContact CG2-CD1 3.69Å; V225-L229 HydrophobicContact CG2-CG 4.28Å; V225-L229 WeakPolarHBondContact O-CB 3.14Å; V225-L229 VanDerWaalsContact O-CG 3.24Å; V225-L229 WeakPolarHBondContact O-CG 3.48Å; V225-L229 PolarHBondContact O-N 2.92Å; L229-L232 HydrophobicContact CD2-CD2 4.5Å; L229-F233 VanDerWaalsContact O-CB 3.25Å; L229-F233 WeakPolarHBondContact O-CB 3.34Å; L229-F233 PolarHBondContact O-N 3.22Å; L229-F260 HydrophobicContact CB-CE2 4.45Å; L229-F260 HydrophobicContact CB-CZ 4.32Å; L229-F260 HydrophobicContact CD1-CD2 4.33Å; L229-F260 HydrophobicContact CD1-CE1 4.26Å; L229-F260 HydrophobicContact CD1-CE2 3.54Å; L229-F260 HydrophobicContact CD1-CZ 3.52Å; L229-F260 HydrophobicContact CD2-CE2 3.95Å; L229-F260 HydrophobicContact CG-CE2 4.19Å; L229-F260 HydrophobicContact CG-CZ 4.36Å
230Y81Confident80.7Confident72 Ų7235.8 Ų35.828%0.28218%0.176SC..Hα-helixtrans-63.9-44.6171.8179-116.1000111.2G159 L163 S226 L227 A228 F233 L234G159-Y230 PolarHBondContact O-OH 3.17Å; G159-Y230 VanDerWaalsContact O-OH 3.08Å; L163-Y230 WeakPolarHBondContact CD1-OH 3.5Å; S226-Y230 WeakPolarHBondContact O-CB 3.24Å; S226-Y230 PolarHBondContact O-N 2.88Å; L227-Y230 PolarHBondContact O-N 2.93Å; A228-Y230 VanDerWaalsContact C-N 3.34Å; A228-Y230 PolarHBondContact O-N 3.22Å; Y230-F233 WeakPolarHBondContact O-CB 3.43Å; Y230-F233 PolarHBondContact O-N 2.88Å; Y230-L234 HydrophobicContact CD1-CD1 3.88Å; Y230-L234 HydrophobicContact CD1-CG 4.44Å; Y230-L234 HydrophobicContact CD2-CG 4.42Å; Y230-L234 HydrophobicContact CE1-CD1 3.39Å; Y230-L234 HydrophobicContact CE1-CG 4.1Å; Y230-L234 HydrophobicContact CE2-CD1 4.25Å; Y230-L234 HydrophobicContact CE2-CD2 4.17Å; Y230-L234 HydrophobicContact CE2-CG 4.05Å; Y230-L234 WeakPolarHBondContact O-CB 3.33Å; Y230-L234 WeakPolarHBondContact O-CG 3.35Å; Y230-L234 PolarHBondContact O-N 3.46Å
231A82.7Confident80Confident0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-65.4-40.8178.400000112.2F175 C176 A179 L227 A228 F233 L234 F235F175-A231 HydrophobicContact CE1-CB 4.19Å; C176-A231 HydrophobicContact CB-CB 4.49Å; C176-A231 PolarHBondContact SG-O 3Å; A179-A231 HydrophobicContact CB-CB 3.58Å; L227-A231 WeakPolarHBondContact O-CB 3.12Å; L227-A231 PolarHBondContact O-N 3.37Å; A228-A231 PolarHBondContact O-N 3.28Å; A231-F233 VanDerWaalsContact C-N 3.35Å; A231-L234 PolarHBondContact O-N 3.4Å; A231-F235 WeakPolarHBondContact O-CB 3.37Å; A231-F235 PolarHBondContact O-N 3.18Å
232L80.2Confident79.4Confident9 Ų937.8 Ų37.85%0.04719%0.19CC..Hα-helixtrans-61.6-42.6172.4-172.578.1000111.8F129 L130 A228 L229 F235 Y236 F252F129-L232 HydrophobicContact CD1-CD1 3.67Å; F129-L232 HydrophobicContact CD1-CD2 3.74Å; F129-L232 HydrophobicContact CD1-CG 4.17Å; F129-L232 HydrophobicContact CE1-CD1 3.96Å; F129-L232 HydrophobicContact CE1-CD2 3.89Å; F129-L232 HydrophobicContact CE1-CG 4.17Å; L130-L232 HydrophobicContact CB-CD1 3.9Å; L130-L232 HydrophobicContact CD1-CD1 3.91Å; L130-L232 HydrophobicContact CG-CD1 4.48Å; A228-L232 WeakPolarHBondContact O-CB 3.23Å; A228-L232 PolarHBondContact O-N 2.86Å; L229-L232 HydrophobicContact CD2-CD2 4.5Å; L232-F235 PolarHBondContact O-N 3.42Å; L232-Y236 WeakPolarHBondContact O-CB 3.48Å; L232-Y236 PolarHBondContact O-N 3.48Å; L232-F252 HydrophobicContact CD2-CE2 3.89Å; L232-F252 HydrophobicContact CD2-CZ 4.32Å; L232-F252 HydrophobicContact CG-CE2 3.91Å
233F78.1Confident78.8Confident57 Ų5736.2 Ų36.225%0.2518%0.182CC..Hα-helixtrans-64.3-43.3176.6176.5-102.4000112.2Y158 L229 Y230 A231 Y236 F237Y158-F233 HydrophobicContact CD1-CE1 4.48Å; Y158-F233 HydrophobicContact CD1-CZ 4.19Å; L229-F233 VanDerWaalsContact O-CB 3.25Å; L229-F233 WeakPolarHBondContact O-CB 3.34Å; L229-F233 PolarHBondContact O-N 3.22Å; Y230-F233 WeakPolarHBondContact O-CB 3.43Å; Y230-F233 PolarHBondContact O-N 2.88Å; A231-F233 VanDerWaalsContact C-N 3.35Å; F233-Y236 PolarHBondContact O-N 3.44Å; F233-F237 PolarHBondContact O-N 2.87Å
234L77Confident77.9Confident9 Ų938.3 Ų38.35%0.04719%0.186CC..Hα-helixtrans-60.3-46.3174.3-75.3177.3000111.4T160 L163 F172 Y230 A231 Y236 F237 A238T160-L234 HydrophobicContact CG2-CD2 3.47Å; T160-L234 VanDerWaalsContact CG2-CD2 3.47Å; L163-L234 HydrophobicContact CD1-CD1 3.83Å; L163-L234 HydrophobicContact CD1-CD2 4.12Å; F172-L234 HydrophobicContact CE2-CB 3.91Å; F172-L234 HydrophobicContact CE2-CD1 4.3Å; F172-L234 HydrophobicContact CZ-CB 3.83Å; Y230-L234 HydrophobicContact CD1-CD1 3.88Å; Y230-L234 HydrophobicContact CD1-CG 4.44Å; Y230-L234 HydrophobicContact CD2-CG 4.42Å; Y230-L234 HydrophobicContact CE1-CD1 3.39Å; Y230-L234 HydrophobicContact CE1-CG 4.1Å; Y230-L234 HydrophobicContact CE2-CD1 4.25Å; Y230-L234 HydrophobicContact CE2-CD2 4.17Å; Y230-L234 HydrophobicContact CE2-CG 4.05Å; Y230-L234 WeakPolarHBondContact O-CB 3.33Å; Y230-L234 WeakPolarHBondContact O-CG 3.35Å; Y230-L234 PolarHBondContact O-N 3.46Å; A231-L234 PolarHBondContact O-N 3.4Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 2.86Å; L234-F237 PolarHBondContact O-N 2.61Å; L234-A238 WeakPolarHBondContact O-CB 3.39Å; L234-A238 PolarHBondContact O-N 3.37Å
235F79.5Confident76.7Confident2 Ų243.2 Ų43.21%0.00922%0.218CC..Hα-helixtrans-59.4-45.3176.5176-88.4000111.5L130 S133 F134 L137 L173 C176 A231 L232 A238 T239L130-F235 HydrophobicContact CD1-CB 4.32Å; L130-F235 HydrophobicContact CD1-CD1 3.96Å; L130-F235 HydrophobicContact CD1-CD2 4.28Å; L130-F235 HydrophobicContact CD1-CE1 4.4Å; L130-F235 HydrophobicContact CD1-CG 3.9Å; S133-F235 VanDerWaalsContact CB-CE1 3.48Å; F134-F235 HydrophobicContact CD1-CE2 4.26Å; F134-F235 HydrophobicContact CD1-CZ 4.47Å; F134-F235 HydrophobicContact CD2-CE2 4.13Å; F134-F235 HydrophobicContact CD2-CZ 4.12Å; F134-F235 AromaticContact CE1-CE2 3.83Å; F134-F235 HydrophobicContact CE1-CE2 3.83Å; F134-F235 HydrophobicContact CE1-CZ 4.47Å; F134-F235 HydrophobicContact CE2-CD2 4.18Å; F134-F235 AromaticContact CE2-CE2 3.7Å; F134-F235 HydrophobicContact CE2-CE2 3.7Å; F134-F235 HydrophobicContact CE2-CZ 4.14Å; F134-F235 HydrophobicContact CG-CE2 4.38Å; F134-F235 HydrophobicContact CG-CZ 4.27Å; F134-F235 HydrophobicContact CZ-CD2 4.04Å; F134-F235 AromaticContact CZ-CE2 3.52Å; F134-F235 HydrophobicContact CZ-CE2 3.52Å; F134-F235 HydrophobicContact CZ-CZ 4.31Å; L137-F235 HydrophobicContact CD1-CE1 4.37Å; L137-F235 HydrophobicContact CD1-CZ 3.81Å; L173-F235 HydrophobicContact CD2-CD2 3.79Å; L173-F235 HydrophobicContact CD2-CE2 3.64Å; C176-F235 HydrophobicContact CB-CB 4.22Å; A231-F235 WeakPolarHBondContact O-CB 3.37Å; A231-F235 PolarHBondContact O-N 3.18Å; L232-F235 PolarHBondContact O-N 3.42Å; F235-A238 WeakPolarHBondContact O-CB 3.5Å; F235-A238 PolarHBondContact O-N 3.14Å; F235-T239 HydrophobicContact CD2-CG2 4.41Å; F235-T239 HydrophobicContact CE1-CG2 4.21Å; F235-T239 HydrophobicContact CE2-CG2 4.03Å; F235-T239 HydrophobicContact CZ-CG2 3.93Å; F235-T239 WeakPolarHBondContact O-CB 3.35Å; F235-T239 WeakPolarHBondContact O-CG2 3.28Å; F235-T239 PolarHBondContact O-N 3.49Å; F235-T239 VanDerWaalsContact O-N 3.08Å; F235-T239 PolarHBondContact O-OG1 3.17Å
236Y76.4Confident75.8Confident36 Ų3647.8 Ų47.814%0.14124%0.235CC..Hα-helixtrans-60.7-47.1177.3174.6-93.1000111.6L232 F233 L234 A238 T239 S240 P248 V249 F252L232-Y236 WeakPolarHBondContact O-CB 3.48Å; L232-Y236 PolarHBondContact O-N 3.48Å; F233-Y236 PolarHBondContact O-N 3.44Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 2.86Å; Y236-A238 VanDerWaalsContact C-N 3.29Å; Y236-A238 PolarHBondContact O-N 3.14Å; Y236-T239 CarbonylContact O-C 3.59Å; Y236-T239 PolarHBondContact O-N 2.94Å; Y236-S240 VanDerWaalsContact O-CA 3.32Å; Y236-S240 WeakPolarHBondContact O-CA 3.44Å; Y236-S240 WeakPolarHBondContact O-CB 3.42Å; Y236-S240 PolarHBondContact O-N 3.44Å; Y236-P248 HydrophobicContact CE2-CB 3.95Å; Y236-P248 HydrophobicContact CE2-CG 4.14Å; Y236-V249 WeakPolarHBondContact OH-CA 3.21Å; Y236-V249 WeakPolarHBondContact OH-CG2 3.32Å; Y236-V249 PolarHBondContact OH-N 2.72Å; Y236-F252 HydrophobicContact CD2-CB 4.13Å; Y236-F252 AromaticContact CD2-CD2 3.53Å; Y236-F252 HydrophobicContact CD2-CD2 3.53Å; Y236-F252 HydrophobicContact CD2-CE2 4.09Å; Y236-F252 AromaticContact CD2-CG 3.85Å; Y236-F252 HydrophobicContact CD2-CG 3.85Å; Y236-F252 HydrophobicContact CE2-CB 3.97Å; Y236-F252 HydrophobicContact CE2-CD2 4.24Å; Y236-F252 HydrophobicContact CE2-CG 4.1Å; Y236-F252 AromaticContact CG-CD2 3.8Å; Y236-F252 HydrophobicContact CG-CD2 3.8Å; Y236-F252 AromaticContact CG-CE2 3.88Å; Y236-F252 HydrophobicContact CG-CE2 3.88Å; Y236-F252 HydrophobicContact CG-CG 4.21Å; Y236-F252 HydrophobicContact CG-CZ 4.3Å
237F75Confident74.7Confident74 Ų7451 Ų5133%0.32524%0.242SC..Hα-helixtrans-59.2-43.9178.2-175.4-101.7000111.3F233 L234 T239 S240F233-F237 PolarHBondContact O-N 2.87Å; L234-F237 PolarHBondContact O-N 2.61Å; F237-T239 VanDerWaalsContact C-N 3.27Å; F237-T239 PolarHBondContact O-N 2.84Å; F237-S240 PolarHBondContact O-OG 3.45Å
238A73.7Confident73.5Confident8 Ų849.3 Ų49.37%0.06623%0.234CC..Hα-helixtrans-59.8-35178.500000114.6Y168 F172 L234 F235 Y236Y168-A238 HydrophobicContact CD1-CB 3.8Å; Y168-A238 HydrophobicContact CE1-CB 3.12Å; Y168-A238 WeakPolarHBondContact OH-CA 2.9Å; F172-A238 HydrophobicContact CE1-CB 3.72Å; F172-A238 HydrophobicContact CZ-CB 4.05Å; L234-A238 WeakPolarHBondContact O-CB 3.39Å; L234-A238 PolarHBondContact O-N 3.37Å; F235-A238 WeakPolarHBondContact O-CB 3.5Å; F235-A238 PolarHBondContact O-N 3.14Å; Y236-A238 VanDerWaalsContact C-N 3.29Å; Y236-A238 PolarHBondContact O-N 3.14Å
239T72.3Confident72.3Confident0 Ų053.5 Ų53.50%026%0.26CS..Hα-helixtrans-111.80.9-170.358.40000112.9L137 I147 F235 Y236 F237 D241 L242 L243L137-T239 HydrophobicContact CD1-CG2 3.56Å; I147-T239 HydrophobicContact CD1-CG2 3.76Å; F235-T239 HydrophobicContact CD2-CG2 4.41Å; F235-T239 HydrophobicContact CE1-CG2 4.21Å; F235-T239 HydrophobicContact CE2-CG2 4.03Å; F235-T239 HydrophobicContact CZ-CG2 3.93Å; F235-T239 WeakPolarHBondContact O-CB 3.35Å; F235-T239 WeakPolarHBondContact O-CG2 3.28Å; F235-T239 PolarHBondContact O-N 3.49Å; F235-T239 VanDerWaalsContact O-N 3.08Å; F235-T239 PolarHBondContact O-OG1 3.17Å; Y236-T239 CarbonylContact O-C 3.59Å; Y236-T239 PolarHBondContact O-N 2.94Å; F237-T239 VanDerWaalsContact C-N 3.27Å; F237-T239 PolarHBondContact O-N 2.84Å; T239-D241 VanDerWaalsContact C-N 3.28Å; T239-D241 PolarHBondContact O-N 3.33Å; T239-L242 PolarHBondContact O-N 3.32Å; T239-L243 WeakPolarHBondContact O-CB 3.44Å; T239-L243 WeakPolarHBondContact O-CG 3.44Å; T239-L243 PolarHBondContact O-N 3.36Å; T239-L243 VanDerWaalsContact OG1-CD1 3.29Å; T239-L243 WeakPolarHBondContact OG1-CD1 3.27Å
240S74.5Confident71.4Confident30 Ų3057.3 Ų57.321%0.2128%0.279CS..Hα-helixtrans-57.7-39-173.657.30000113Y236 F237 L243 R244Y236-S240 VanDerWaalsContact O-CA 3.32Å; Y236-S240 WeakPolarHBondContact O-CA 3.44Å; Y236-S240 WeakPolarHBondContact O-CB 3.42Å; Y236-S240 PolarHBondContact O-N 3.44Å; F237-S240 PolarHBondContact O-OG 3.45Å; S240-L243 PolarHBondContact O-N 3.45Å; S240-R244 PolarHBondContact O-N 3.38Å
241D71.4Confident70.9Confident119 Ų11955.5 Ų55.564%0.63627%0.273SS*.Hα-helixtrans-66-39.3176.9-70-40.2000112.5T239 R244T239-D241 VanDerWaalsContact C-N 3.28Å; T239-D241 PolarHBondContact O-N 3.33Å; D241-R244 WeakPolarHBondContact O-CB 3.44Å
242L70.8Confident70.1Confident40 Ų4056.1 Ų56.121%0.20928%0.276CS..Hα-helixtrans-73.7-34.2178.3-74.265.8000111.1L137 E146 I147 T239 R244 P245L137-L242 HydrophobicContact CD2-CB 3.37Å; L137-L242 HydrophobicContact CD2-CD2 3.84Å; L137-L242 HydrophobicContact CD2-CG 4.29Å; E146-L242 HydrophobicContact CB-CD2 3.86Å; E146-L242 HydrophobicContact CG-CD1 4.11Å; E146-L242 HydrophobicContact CG-CD2 3.39Å; E146-L242 HydrophobicContact CG-CG 3.73Å; I147-L242 HydrophobicContact CG1-CD2 4.21Å; T239-L242 PolarHBondContact O-N 3.32Å; L242-R244 VanDerWaalsContact C-N 3.34Å; L242-P245 VanDerWaalsContact O-CD 3.26Å; L242-P245 WeakPolarHBondContact O-CD 3.04Å
243L70Confident69.3Low4 Ų460.7 Ų60.72%0.02130%0.3CS..Hα-helixtrans-80.6-13.5179.6-74.2165.1000113Y136 L137 T239 S240 P245 Y246 P248Y136-L243 HydrophobicContact CD2-CD2 4.41Å; L137-L243 HydrophobicContact CD1-CG 4.45Å; L137-L243 HydrophobicContact CD2-CD2 4.01Å; L137-L243 HydrophobicContact CD2-CG 3.88Å; L137-L243 HydrophobicContact CG-CD2 4.01Å; L137-L243 HydrophobicContact CG-CG 4.22Å; T239-L243 WeakPolarHBondContact O-CB 3.44Å; T239-L243 WeakPolarHBondContact O-CG 3.44Å; T239-L243 PolarHBondContact O-N 3.36Å; T239-L243 VanDerWaalsContact OG1-CD1 3.29Å; T239-L243 WeakPolarHBondContact OG1-CD1 3.27Å; S240-L243 PolarHBondContact O-N 3.45Å; L243-P245 VanDerWaalsContact C-N 3.29Å; L243-P245 WeakPolarHBondContact O-CD 3.06Å; L243-P245 VanDerWaalsContact O-N 3.12Å; L243-Y246 WeakPolarHBondContact O-CB 3.46Å; L243-Y246 PolarHBondContact O-N 3.12Å; L243-P248 HydrophobicContact CB-CB 3.67Å; L243-P248 HydrophobicContact CB-CG 3.57Å; L243-P248 HydrophobicContact CD1-CB 4.38Å; L243-P248 HydrophobicContact CG-CB 4.47Å; L243-P248 WeakPolarHBondContact O-CD 3.39Å; L243-P248 WeakPolarHBondContact O-CG 3.44Å
244R67.4Low68.8Low193 Ų19358.8 Ų58.873%0.72829%0.293SS*.G310 helixtrans-48.1-37.3-176.5-165.9174.7-179.6178.1-0.1115.1S240 D241 L242 Y246 E247S240-R244 PolarHBondContact O-N 3.38Å; D241-R244 WeakPolarHBondContact O-CB 3.44Å; L242-R244 VanDerWaalsContact C-N 3.34Å; R244-Y246 PolarHBondContact O-N 3.43Å; R244-E247 PolarHBondContact O-N 3.28Å
245P64.9Low68.3Low104 Ų10458.8 Ų58.868%0.67529%0.292SS*.G310 helixtrans-63-18.7176.1-21.634.2000114.5L242 L243L242-P245 VanDerWaalsContact O-CD 3.26Å; L242-P245 WeakPolarHBondContact O-CD 3.04Å; L243-P245 VanDerWaalsContact C-N 3.29Å; L243-P245 WeakPolarHBondContact O-CD 3.06Å; L243-P245 VanDerWaalsContact O-N 3.12Å
246Y63.3Low67.8Low102 Ų10262 Ų6240%0.431%0.307SS..G310 helixtrans-104.813.3-174-62.4-75.1000114.2L243 R244 K251L243-Y246 WeakPolarHBondContact O-CB 3.46Å; L243-Y246 PolarHBondContact O-N 3.12Å; R244-Y246 PolarHBondContact O-N 3.43Å; Y246-K251 WeakPolarHBondContact O-CE 3.46Å; Y246-K251 PolarHBondContact O-NZ 2.89Å
247E60.9Low67.2Low138 Ų13862.7 Ų62.765%0.64532%0.317SS*.  trans46.956.9-176.2-61.7-171.713700113.3R244 V249 L250R244-E247 PolarHBondContact O-N 3.28Å; E247-V249 VanDerWaalsContact C-N 3.3Å; E247-V249 PolarHBondContact O-N 3.49Å; E247-L250 PolarHBondContact O-N 3.07Å
248P59.7Low66.9Low16 Ų1660 Ų6010%0.10431%0.306CS..Hα-helixtrans-75.6-23.8-164.936.4-39.5000111.5Y236 L243 L250 K251 F252Y236-P248 HydrophobicContact CE2-CB 3.95Å; Y236-P248 HydrophobicContact CE2-CG 4.14Å; L243-P248 HydrophobicContact CB-CB 3.67Å; L243-P248 HydrophobicContact CB-CG 3.57Å; L243-P248 HydrophobicContact CD1-CB 4.38Å; L243-P248 HydrophobicContact CG-CB 4.47Å; L243-P248 WeakPolarHBondContact O-CD 3.39Å; L243-P248 WeakPolarHBondContact O-CG 3.44Å; P248-L250 PolarHBondContact O-N 3.47Å; P248-K251 PolarHBondContact O-N 2.75Å; P248-F252 WeakPolarHBondContact O-CB 3.44Å; P248-F252 PolarHBondContact O-N 3.24Å
249V60.3Low66.7Low88 Ų8859.9 Ų59.953%0.53331%0.305SS..Hα-helixtrans-59.2-46.3177.7-174.10000110.4Y236 E247 L253Y236-V249 WeakPolarHBondContact OH-CA 3.21Å; Y236-V249 WeakPolarHBondContact OH-CG2 3.32Å; Y236-V249 PolarHBondContact OH-N 2.72Å; E247-V249 VanDerWaalsContact C-N 3.3Å; E247-V249 PolarHBondContact O-N 3.49Å; V249-L253 WeakPolarHBondContact O-CB 3.34Å; V249-L253 PolarHBondContact O-N 3.18Å
250L60.1Low66.5Low103 Ų10362.7 Ų62.754%0.53932%0.317SS..Hα-helixtrans-67.7-42.6-178.6-89.8164000111.4E247 P248 T254E247-L250 PolarHBondContact O-N 3.07Å; P248-L250 PolarHBondContact O-N 3.47Å; L250-T254 WeakPolarHBondContact O-CB 3.25Å; L250-T254 PolarHBondContact O-N 3.41Å; L250-T254 PolarHBondContact O-OG1 3.18Å
251K70Confident66.2Low33 Ų3365 Ų6514%0.14333%0.327CS..Hα-helixtrans-64.4-47.7176.9-68167.9179.5169.70111.9Y246 P248 T254 I255 A317 F318Y246-K251 WeakPolarHBondContact O-CE 3.46Å; Y246-K251 PolarHBondContact O-NZ 2.89Å; P248-K251 PolarHBondContact O-N 2.75Å; K251-T254 PolarHBondContact O-N 2.73Å; K251-I255 PolarHBondContact O-N 3.32Å; K251-A317 WeakPolarHBondContact CE-O 3.48Å; K251-A317 HydrophobicContact CG-CB 4.1Å; K251-A317 VanDerWaalsContact CG-O 3.27Å; K251-A317 WeakPolarHBondContact CG-O 3.36Å; K251-F318 HydrophobicContact CB-CE1 4.39Å; K251-F318 HydrophobicContact CB-CZ 4.14Å; K251-F318 HydrophobicContact CD-CD1 4.47Å; K251-F318 HydrophobicContact CD-CE1 4.08Å; K251-F318 HydrophobicContact CG-CE1 4.11Å; K251-F318 HydrophobicContact CG-CZ 4.24Å
252F65.8Low66.1Low14 Ų1459.8 Ų59.86%0.06130%0.299CS..Hα-helixtrans-63.5-49178-176.1-86.8000111.3F129 L232 Y236 P248 T254 I255 K256F129-F252 AromaticContact CE1-CD2 3.33Å; F129-F252 HydrophobicContact CE1-CD2 3.33Å; F129-F252 AromaticContact CE1-CE2 3.78Å; F129-F252 HydrophobicContact CE1-CE2 3.78Å; F129-F252 HydrophobicContact CE1-CG 4.26Å; F129-F252 HydrophobicContact CZ-CB 3.88Å; F129-F252 AromaticContact CZ-CD2 3.43Å; F129-F252 HydrophobicContact CZ-CD2 3.43Å; F129-F252 VanDerWaalsContact CZ-CD2 3.43Å; F129-F252 HydrophobicContact CZ-CE2 4.33Å; F129-F252 HydrophobicContact CZ-CG 4.04Å; L232-F252 HydrophobicContact CD2-CE2 3.89Å; L232-F252 HydrophobicContact CD2-CZ 4.32Å; L232-F252 HydrophobicContact CG-CE2 3.91Å; Y236-F252 HydrophobicContact CD2-CB 4.13Å; Y236-F252 AromaticContact CD2-CD2 3.53Å; Y236-F252 HydrophobicContact CD2-CD2 3.53Å; Y236-F252 HydrophobicContact CD2-CE2 4.09Å; Y236-F252 AromaticContact CD2-CG 3.85Å; Y236-F252 HydrophobicContact CD2-CG 3.85Å; Y236-F252 HydrophobicContact CE2-CB 3.97Å; Y236-F252 HydrophobicContact CE2-CD2 4.24Å; Y236-F252 HydrophobicContact CE2-CG 4.1Å; Y236-F252 AromaticContact CG-CD2 3.8Å; Y236-F252 HydrophobicContact CG-CD2 3.8Å; Y236-F252 AromaticContact CG-CE2 3.88Å; Y236-F252 HydrophobicContact CG-CE2 3.88Å; Y236-F252 HydrophobicContact CG-CG 4.21Å; Y236-F252 HydrophobicContact CG-CZ 4.3Å; P248-F252 WeakPolarHBondContact O-CB 3.44Å; P248-F252 PolarHBondContact O-N 3.24Å; F252-T254 VanDerWaalsContact C-N 3.33Å; F252-T254 PolarHBondContact O-N 3.49Å; F252-I255 PolarHBondContact O-N 3.05Å; F252-K256 HydrophobicContact CD1-CB 4.46Å; F252-K256 HydrophobicContact CD1-CD 4.19Å; F252-K256 HydrophobicContact CE1-CB 4.43Å; F252-K256 HydrophobicContact CE1-CD 3.5Å; F252-K256 HydrophobicContact CZ-CD 4.17Å; F252-K256 WeakPolarHBondContact O-CB 3.47Å; F252-K256 PolarHBondContact O-N 2.83Å
253L64.6Low65.9Low105 Ų10559.7 Ų59.755%0.5530%0.297SS..Hα-helixtrans-66.6-34.7-179.9-171.3127.3000111.6V249 S257V249-L253 WeakPolarHBondContact O-CB 3.34Å; V249-L253 PolarHBondContact O-N 3.18Å; L253-S257 WeakPolarHBondContact O-CA 3.24Å; L253-S257 WeakPolarHBondContact O-CB 3.38Å; L253-S257 PolarHBondContact O-N 2.7Å
254T67.5Low65.9Low17 Ų1766.7 Ų66.710%0.10432%0.323CS..Hα-helixtrans-64.6-52.3176.6-60.70000111L250 K251 F252 S257 V258 A313 L314 A317L250-T254 WeakPolarHBondContact O-CB 3.25Å; L250-T254 PolarHBondContact O-N 3.41Å; L250-T254 PolarHBondContact O-OG1 3.18Å; K251-T254 PolarHBondContact O-N 2.73Å; F252-T254 VanDerWaalsContact C-N 3.33Å; F252-T254 PolarHBondContact O-N 3.49Å; T254-S257 PolarHBondContact O-N 3.25Å; T254-V258 VanDerWaalsContact O-CG2 3.26Å; T254-V258 WeakPolarHBondContact O-CG2 3.44Å; T254-V258 PolarHBondContact O-N 3.07Å; T254-A313 HydrophobicContact CG2-CB 3.67Å; T254-L314 HydrophobicContact CG2-CD2 3.94Å; T254-L314 HydrophobicContact CG2-CG 4.03Å; T254-A317 HydrophobicContact CG2-CB 4.39Å
255I66.4Low65.9Low8 Ų858.7 Ų58.74%0.04129%0.294CS..Hα-helixtrans-66.3-44.5179.8-65.7163.8000110.8I87 V125 F129 K251 F252 S257 V258 I259 L314 F318I87-I255 HydrophobicContact CD1-CD1 4.16Å; I87-I255 HydrophobicContact CG2-CD1 3.67Å; I87-I255 HydrophobicContact CG2-CG1 3.92Å; V125-I255 HydrophobicContact CG1-CG2 4.15Å; F129-I255 HydrophobicContact CB-CD1 4.42Å; F129-I255 HydrophobicContact CD2-CD1 3.18Å; F129-I255 HydrophobicContact CE2-CD1 3.6Å; F129-I255 HydrophobicContact CG-CD1 3.94Å; K251-I255 PolarHBondContact O-N 3.32Å; F252-I255 PolarHBondContact O-N 3.05Å; I255-S257 PolarHBondContact O-N 3.09Å; I255-V258 PolarHBondContact O-N 3.29Å; I255-I259 HydrophobicContact CG2-CD1 3.81Å; I255-I259 WeakPolarHBondContact O-CG1 3.34Å; I255-I259 PolarHBondContact O-N 3.28Å; I255-I259 VanDerWaalsContact O-N 3.12Å; I255-L314 HydrophobicContact CG1-CD2 4.17Å; I255-F318 HydrophobicContact CD1-CE2 3.78Å; I255-F318 HydrophobicContact CD1-CZ 3.64Å; I255-F318 HydrophobicContact CG1-CE2 4.23Å
256K68.8Low66.1Low70 Ų7054.7 Ų54.730%0.30427%0.272SS..Hα-helixtrans-59.1-47.3177.3-174176.3176.2-176.40110.7F252 V258 I259 F260F252-K256 HydrophobicContact CD1-CB 4.46Å; F252-K256 HydrophobicContact CD1-CD 4.19Å; F252-K256 HydrophobicContact CE1-CB 4.43Å; F252-K256 HydrophobicContact CE1-CD 3.5Å; F252-K256 HydrophobicContact CZ-CD 4.17Å; F252-K256 WeakPolarHBondContact O-CB 3.47Å; F252-K256 PolarHBondContact O-N 2.83Å; K256-V258 VanDerWaalsContact C-N 3.32Å; K256-V258 PolarHBondContact O-N 3.23Å; K256-I259 PolarHBondContact O-N 3.49Å; K256-F260 HydrophobicContact CB-CD2 4.47Å; K256-F260 HydrophobicContact CD-CD2 4.29Å; K256-F260 HydrophobicContact CD-CE2 3.95Å; K256-F260 HydrophobicContact CG-CD2 3.34Å; K256-F260 HydrophobicContact CG-CE2 3.41Å; K256-F260 VanDerWaalsContact CG-CE2 3.41Å; K256-F260 HydrophobicContact CG-CG 4.43Å; K256-F260 VanDerWaalsContact O-CB 3.29Å; K256-F260 WeakPolarHBondContact O-CB 3.16Å; K256-F260 WeakPolarHBondContact O-CD2 3.23Å; K256-F260 PolarHBondContact O-N 3.29Å
257S64.1Low66.3Low51 Ų5152.6 Ų52.636%0.35727%0.266SS..Hα-helixtrans-62.2-40.4179.8-170.50000111.5L253 T254 I255 L261L253-S257 WeakPolarHBondContact O-CA 3.24Å; L253-S257 WeakPolarHBondContact O-CB 3.38Å; L253-S257 PolarHBondContact O-N 2.7Å; T254-S257 PolarHBondContact O-N 3.25Å; I255-S257 PolarHBondContact O-N 3.09Å; S257-L261 VanDerWaalsContact O-CB 3.23Å; S257-L261 WeakPolarHBondContact O-CB 3.49Å; S257-L261 WeakPolarHBondContact O-CD1 2.96Å; S257-L261 WeakPolarHBondContact O-CG 3.35Å; S257-L261 PolarHBondContact O-N 3.16Å; S257-L261 WeakPolarHBondContact OG-CD1 3.26Å
258V68.4Low66.8Low17 Ų1749.4 Ų49.410%0.10326%0.256CS..Hα-helixtrans-62-46.3178.6171.30000111.4I90 T254 I255 K256 S262 M307 A310I90-V258 HydrophobicContact CD1-CG1 4.2Å; T254-V258 VanDerWaalsContact O-CG2 3.26Å; T254-V258 WeakPolarHBondContact O-CG2 3.44Å; T254-V258 PolarHBondContact O-N 3.07Å; I255-V258 PolarHBondContact O-N 3.29Å; K256-V258 VanDerWaalsContact C-N 3.32Å; K256-V258 PolarHBondContact O-N 3.23Å; V258-S262 PolarHBondContact O-N 3.19Å; V258-S262 PolarHBondContact O-OG 3.04Å; V258-M307 HydrophobicContact CG1-CE 3.91Å; V258-A310 HydrophobicContact CG2-CB 3.6Å
259I70.5Confident67.3Low6 Ų649.7 Ų49.73%0.03126%0.257CS..Hα-helixtrans-73.2-39-178.4-62.5169.6000111.7I90 E122 V125 I126 I255 K256 S262 F263I90-I259 HydrophobicContact CD1-CG1 4.23Å; E122-I259 HydrophobicContact CG-CG1 4.36Å; E122-I259 HydrophobicContact CG-CG2 3.72Å; V125-I259 HydrophobicContact CG1-CD1 4.16Å; I126-I259 HydrophobicContact CD1-CD1 4.44Å; I126-I259 HydrophobicContact CG1-CD1 3.78Å; I255-I259 HydrophobicContact CG2-CD1 3.81Å; I255-I259 WeakPolarHBondContact O-CG1 3.34Å; I255-I259 PolarHBondContact O-N 3.28Å; I255-I259 VanDerWaalsContact O-N 3.12Å; K256-I259 PolarHBondContact O-N 3.49Å; I259-S262 PolarHBondContact O-OG 3.09Å; I259-F263 PolarHBondContact O-N 3.45Å
260F66.4Low67.6Low59 Ų5945.9 Ų45.926%0.25923%0.234SC..Hα-helixtrans-71.8-37.8179.7-90.2-94.3000112.5L229 K256 F263 W264L229-F260 HydrophobicContact CB-CE2 4.45Å; L229-F260 HydrophobicContact CB-CZ 4.32Å; L229-F260 HydrophobicContact CD1-CD2 4.33Å; L229-F260 HydrophobicContact CD1-CE1 4.26Å; L229-F260 HydrophobicContact CD1-CE2 3.54Å; L229-F260 HydrophobicContact CD1-CZ 3.52Å; L229-F260 HydrophobicContact CD2-CE2 3.95Å; L229-F260 HydrophobicContact CG-CE2 4.19Å; L229-F260 HydrophobicContact CG-CZ 4.36Å; K256-F260 HydrophobicContact CB-CD2 4.47Å; K256-F260 HydrophobicContact CD-CD2 4.29Å; K256-F260 HydrophobicContact CD-CE2 3.95Å; K256-F260 HydrophobicContact CG-CD2 3.34Å; K256-F260 HydrophobicContact CG-CE2 3.41Å; K256-F260 VanDerWaalsContact CG-CE2 3.41Å; K256-F260 HydrophobicContact CG-CG 4.43Å; K256-F260 VanDerWaalsContact O-CB 3.29Å; K256-F260 WeakPolarHBondContact O-CB 3.16Å; K256-F260 WeakPolarHBondContact O-CD2 3.23Å; K256-F260 PolarHBondContact O-N 3.29Å; F260-F263 PolarHBondContact O-N 2.96Å; F260-W264 AromaticContact CD1-NE1 3.85Å; F260-W264 WeakPolarHBondContact O-CB 3.33Å; F260-W264 VanDerWaalsContact O-CD1 3.22Å; F260-W264 PolarHBondContact O-N 3.43Å
261L69.7Low68Low79 Ų7945.3 Ų45.341%0.41423%0.231SC..Hα-helixtrans-62.7-46.1179.2-74.8171.1000110.9S257 F263 W264 Q265S257-L261 VanDerWaalsContact O-CB 3.23Å; S257-L261 WeakPolarHBondContact O-CB 3.49Å; S257-L261 WeakPolarHBondContact O-CD1 2.96Å; S257-L261 WeakPolarHBondContact O-CG 3.35Å; S257-L261 PolarHBondContact O-N 3.16Å; S257-L261 WeakPolarHBondContact OG-CD1 3.26Å; L261-F263 VanDerWaalsContact C-N 3.32Å; L261-F263 PolarHBondContact O-N 3.43Å; L261-W264 PolarHBondContact O-N 3.06Å; L261-Q265 WeakPolarHBondContact O-CB 3.29Å; L261-Q265 VanDerWaalsContact O-CD 3.22Å; L261-Q265 WeakPolarHBondContact O-CG 2.91Å; L261-Q265 PolarHBondContact O-N 3.25Å
262S68.2Low67.9Low8 Ų846.6 Ų46.66%0.05624%0.239CC..Hα-helixtrans-63-37.1177.254.80000112.9V258 I259 G266V258-S262 PolarHBondContact O-N 3.19Å; V258-S262 PolarHBondContact O-OG 3.04Å; I259-S262 PolarHBondContact O-OG 3.09Å; S262-G266 PolarHBondContact O-N 2.7Å
263F66.8Low67.8Low38 Ų3847.3 Ų47.317%0.16724%0.242CC..Hα-helixtrans-67.4-49.2175.7168.5-94.5000112.4Y221 N222 I259 F260 L261 Q265 G266 M267Y221-F263 AromaticContact CE1-CD2 3.91Å; Y221-F263 HydrophobicContact CE1-CD2 3.91Å; Y221-F263 AromaticContact CE1-CE2 3.92Å; Y221-F263 HydrophobicContact CE1-CE2 3.92Å; N222-F263 WeakPolarHBondContact OD1-CE2 3.38Å; N222-F263 WeakPolarHBondContact OD1-CZ 3.32Å; I259-F263 PolarHBondContact O-N 3.45Å; F260-F263 PolarHBondContact O-N 2.96Å; L261-F263 VanDerWaalsContact C-N 3.32Å; L261-F263 PolarHBondContact O-N 3.43Å; F263-Q265 VanDerWaalsContact C-N 3.27Å; F263-Q265 PolarHBondContact O-N 3.24Å; F263-G266 PolarHBondContact O-N 3.06Å; F263-M267 HydrophobicContact CD1-CG 4.44Å; F263-M267 HydrophobicContact CE1-CG 3.8Å; F263-M267 HydrophobicContact CE2-CG 3.89Å; F263-M267 HydrophobicContact CE2-SD 4.45Å; F263-M267 HydrophobicContact CZ-CG 3.47Å; F263-M267 VanDerWaalsContact CZ-CG 3.47Å; F263-M267 HydrophobicContact CZ-SD 4.14Å; F263-M267 PolarHBondContact O-N 3.14Å
264W69.8Low67.8Low152 Ų15248.6 Ų48.658%0.57624%0.24SC*.Hα-helixtrans-64.9-33.2-179.1-85.6100.2000112F260 L261 M267 V268F260-W264 AromaticContact CD1-NE1 3.85Å; F260-W264 WeakPolarHBondContact O-CB 3.33Å; F260-W264 VanDerWaalsContact O-CD1 3.22Å; F260-W264 PolarHBondContact O-N 3.43Å; L261-W264 PolarHBondContact O-N 3.06Å; W264-M267 PolarHBondContact O-N 3.39Å; W264-V268 VanDerWaalsContact O-CB 3.29Å; W264-V268 WeakPolarHBondContact O-CB 3.32Å; W264-V268 WeakPolarHBondContact O-CG2 3.31Å; W264-V268 PolarHBondContact O-N 3.12Å
265Q68.1Low67.8Low25 Ų2552 Ų5212%0.11726%0.264CS..Hα-helixtrans-61-49.4171.9-73.2159.46.300112.2L261 F263 M267 V268 L269 Q299 E306L261-Q265 WeakPolarHBondContact O-CB 3.29Å; L261-Q265 VanDerWaalsContact O-CD 3.22Å; L261-Q265 WeakPolarHBondContact O-CG 2.91Å; L261-Q265 PolarHBondContact O-N 3.25Å; F263-Q265 VanDerWaalsContact C-N 3.27Å; F263-Q265 PolarHBondContact O-N 3.24Å; Q265-M267 VanDerWaalsContact C-N 3.3Å; Q265-M267 PolarHBondContact O-N 3.43Å; Q265-V268 PolarHBondContact O-N 3.28Å; Q265-L269 VanDerWaalsContact O-CB 3.29Å; Q265-L269 WeakPolarHBondContact O-CB 3.36Å; Q265-L269 WeakPolarHBondContact O-CD1 3.2Å; Q265-L269 VanDerWaalsContact O-CG 3.25Å; Q265-L269 WeakPolarHBondContact O-CG 3.48Å; Q265-L269 PolarHBondContact O-N 2.95Å; Q265-Q299 HydrophobicContact CB-CG 4.22Å; Q265-E306 PolarHBondContact NE2-OE1 3.34Å; Q265-E306 PolarHBondContact NE2-OE2 3Å
266G68.3Low67.4Low20 Ų2054 Ų5421%0.20629%0.286CS..Hα-helixtrans-59.4-42.4177.200000112.2S262 F263 L269 A270 Q299S262-G266 PolarHBondContact O-N 2.7Å; F263-G266 PolarHBondContact O-N 3.06Å; G266-L269 PolarHBondContact O-N 2.97Å; G266-A270 WeakPolarHBondContact O-CB 3.34Å; G266-A270 PolarHBondContact O-N 3.15Å; G266-Q299 VanDerWaalsContact CA-OE1 3.24Å
267M67.5Low66.9Low58 Ų5855.4 Ų55.429%0.28630%0.3SS..Hα-helixtrans-63.8-47175.4-76.8-65.4-60.900112.9F263 W264 Q265 L269 A270 I271F263-M267 HydrophobicContact CD1-CG 4.44Å; F263-M267 HydrophobicContact CE1-CG 3.8Å; F263-M267 HydrophobicContact CE2-CG 3.89Å; F263-M267 HydrophobicContact CE2-SD 4.45Å; F263-M267 HydrophobicContact CZ-CG 3.47Å; F263-M267 VanDerWaalsContact CZ-CG 3.47Å; F263-M267 HydrophobicContact CZ-SD 4.14Å; F263-M267 PolarHBondContact O-N 3.14Å; W264-M267 PolarHBondContact O-N 3.39Å; Q265-M267 VanDerWaalsContact C-N 3.3Å; Q265-M267 PolarHBondContact O-N 3.43Å; M267-L269 VanDerWaalsContact C-N 3.31Å; M267-L269 PolarHBondContact O-N 3.42Å; M267-A270 PolarHBondContact O-N 3Å; M267-I271 WeakPolarHBondContact O-CD1 3.25Å; M267-I271 VanDerWaalsContact O-CG1 3.25Å; M267-I271 WeakPolarHBondContact O-CG1 3.48Å; M267-I271 PolarHBondContact O-N 3.23Å
268V72.9Confident66.5Low71 Ų7154 Ų5443%0.4329%0.288SS..Hα-helixtrans-62-42.1178.8164.50000110.4W264 Q265 I271 L272W264-V268 VanDerWaalsContact O-CB 3.29Å; W264-V268 WeakPolarHBondContact O-CB 3.32Å; W264-V268 WeakPolarHBondContact O-CG2 3.31Å; W264-V268 PolarHBondContact O-N 3.12Å; Q265-V268 PolarHBondContact O-N 3.28Å; V268-I271 PolarHBondContact O-N 2.98Å; V268-L272 HydrophobicContact CG1-CD1 3.53Å; V268-L272 WeakPolarHBondContact O-CB 3.4Å; V268-L272 WeakPolarHBondContact O-CD1 3.35Å; V268-L272 WeakPolarHBondContact O-CG 3.29Å; V268-L272 PolarHBondContact O-N 3.15Å
269L69.9Low65.8Low21 Ų2155.9 Ų55.911%0.1130%0.301CS..Hα-helixtrans-66.7-42177.9-74.5167.8000112.5Q265 G266 M267 I271 L272 E273 A295 W298 Q299Q265-L269 VanDerWaalsContact O-CB 3.29Å; Q265-L269 WeakPolarHBondContact O-CB 3.36Å; Q265-L269 WeakPolarHBondContact O-CD1 3.2Å; Q265-L269 VanDerWaalsContact O-CG 3.25Å; Q265-L269 WeakPolarHBondContact O-CG 3.48Å; Q265-L269 PolarHBondContact O-N 2.95Å; G266-L269 PolarHBondContact O-N 2.97Å; M267-L269 VanDerWaalsContact C-N 3.31Å; M267-L269 PolarHBondContact O-N 3.42Å; L269-I271 VanDerWaalsContact C-N 3.28Å; L269-I271 PolarHBondContact O-N 2.9Å; L269-L272 HydrophobicContact CD2-CD1 4.47Å; L269-L272 PolarHBondContact O-N 3.46Å; L269-E273 PolarHBondContact O-N 2.94Å; L269-A295 HydrophobicContact CB-CB 4.32Å; L269-A295 WeakPolarHBondContact CD1-O 3.43Å; L269-W298 HydrophobicContact CD2-CB 4.39Å; L269-Q299 HydrophobicContact CD1-CB 3.43Å; L269-Q299 VanDerWaalsContact CD1-CB 3.43Å; L269-Q299 HydrophobicContact CD1-CG 3.84Å
270A66.3Low64.8Low8 Ų861.4 Ų61.47%0.06633%0.331CS..Hα-helixtrans-62.1-35.1172.900000112.4F208 G266 M267 R274F208-A270 HydrophobicContact CE2-CB 4.35Å; F208-A270 HydrophobicContact CZ-CB 4.37Å; G266-A270 WeakPolarHBondContact O-CB 3.34Å; G266-A270 PolarHBondContact O-N 3.15Å; M267-A270 PolarHBondContact O-N 3Å; A270-R274 VanDerWaalsContact O-CG 3.3Å; A270-R274 WeakPolarHBondContact O-CG 3.47Å; A270-R274 PolarHBondContact O-N 2.98Å
271I68.9Low63.9Low92 Ų9261.2 Ų61.247%0.47234%0.34SS..Hα-helixtrans-71.5-41.5173.8-67164.1000111M267 V268 L269 E273 R274 C275M267-I271 WeakPolarHBondContact O-CD1 3.25Å; M267-I271 VanDerWaalsContact O-CG1 3.25Å; M267-I271 WeakPolarHBondContact O-CG1 3.48Å; M267-I271 PolarHBondContact O-N 3.23Å; V268-I271 PolarHBondContact O-N 2.98Å; L269-I271 VanDerWaalsContact C-N 3.28Å; L269-I271 PolarHBondContact O-N 2.9Å; I271-E273 VanDerWaalsContact C-N 3.32Å; I271-E273 PolarHBondContact O-N 3.32Å; I271-R274 CarbonylContact O-C 3.57Å; I271-R274 WeakPolarHBondContact O-CA 3.29Å; I271-R274 WeakPolarHBondContact O-CB 3.49Å; I271-R274 PolarHBondContact O-N 3.36Å; I271-R274 VanDerWaalsContact O-N 3.09Å; I271-C275 PolarHBondContact O-N 2.9Å; I271-C275 PolarHBondContact O-SG 3.27Å; I271-C275 VanDerWaalsContact O-SG 3.42Å
272L67.5Low63Low59 Ų5958.2 Ų58.231%0.30932%0.324SS..Hα-helixtrans-62.2-38177.3-87.3148.3000112.4V268 L269 R274 C275 G276 V277 I278V268-L272 HydrophobicContact CG1-CD1 3.53Å; V268-L272 WeakPolarHBondContact O-CB 3.4Å; V268-L272 WeakPolarHBondContact O-CD1 3.35Å; V268-L272 WeakPolarHBondContact O-CG 3.29Å; V268-L272 PolarHBondContact O-N 3.15Å; L269-L272 HydrophobicContact CD2-CD1 4.47Å; L269-L272 PolarHBondContact O-N 3.46Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-C275 PolarHBondContact O-N 3.3Å; L272-G276 PolarHBondContact O-N 2.85Å; L272-V277 HydrophobicContact CD2-CB 3.92Å; L272-V277 HydrophobicContact CD2-CG1 3.82Å; L272-V277 HydrophobicContact CD2-CG2 4.26Å; L272-V277 PolarHBondContact O-N 2.84Å; L272-I278 HydrophobicContact CB-CD1 3.99Å; L272-I278 HydrophobicContact CB-CG1 4.29Å
273E64.1Low62Low29 Ų2963 Ų6314%0.13634%0.344CS..Hα-helixtrans-58.6-47.1170-176-177.9-174.200110.7G206 L269 I271 C275 G276 A291 G292G206-E273 VanDerWaalsContact CA-OE2 3.26Å; G206-E273 WeakPolarHBondContact CA-OE2 3.12Å; L269-E273 PolarHBondContact O-N 2.94Å; I271-E273 VanDerWaalsContact C-N 3.32Å; I271-E273 PolarHBondContact O-N 3.32Å; E273-C275 PolarHBondContact O-N 3.21Å; E273-G276 PolarHBondContact O-N 2.84Å; E273-A291 HydrophobicContact CG-CB 4.07Å; E273-G292 PolarHBondContact OE1-N 3.08Å
274R64.1Low61.2Low132 Ų13261.7 Ų61.750%0.49834%0.339SS..Hα-helixtrans-64.8-35.9178.6-73.9-79.6157.1171.7-8.9113.9G206 D207 F208 A270 I271 L272 G276G206-R274 PolarHBondContact O-NE 2.79Å; G206-R274 PolarHBondContact O-NH2 3Å; D207-R274 VanDerWaalsContact CA-NH2 3.32Å; D207-R274 IonicContact OD1-NH2 2.74Å; D207-R274 PolarHBondContact OD1-NH2 3.25Å; F208-R274 HydrophobicContact CD2-CG 4.23Å; F208-R274 VanDerWaalsContact CD2-NE 3.33Å; F208-R274 HydrophobicContact CE2-CG 4.28Å; A270-R274 VanDerWaalsContact O-CG 3.3Å; A270-R274 WeakPolarHBondContact O-CG 3.47Å; A270-R274 PolarHBondContact O-N 2.98Å; I271-R274 CarbonylContact O-C 3.57Å; I271-R274 WeakPolarHBondContact O-CA 3.29Å; I271-R274 WeakPolarHBondContact O-CB 3.49Å; I271-R274 PolarHBondContact O-N 3.36Å; I271-R274 VanDerWaalsContact O-N 3.09Å; L272-R274 VanDerWaalsContact C-N 3.34Å; R274-G276 PolarHBondContact O-N 3.29Å
275C66.4Low60Low90 Ų9061 Ų6161%0.60834%0.342SS*.THydrogen-bonded Turntrans-71.6-2.5175.6-69.80000112.9I271 L272 E273 V277I271-C275 PolarHBondContact O-N 2.9Å; I271-C275 PolarHBondContact O-SG 3.27Å; I271-C275 VanDerWaalsContact O-SG 3.42Å; L272-C275 PolarHBondContact O-N 3.3Å; E273-C275 PolarHBondContact O-N 3.21Å; C275-V277 HydrophobicContact CB-CG2 3.91Å; C275-V277 PolarHBondContact O-N 3.08Å
276G59.4Low58.9Low49 Ų4962.9 Ų62.951%0.50537%0.368SS..THydrogen-bonded Turntrans67.116.7-179.400000113.3L272 E273 R274 I278L272-G276 PolarHBondContact O-N 2.85Å; E273-G276 PolarHBondContact O-N 2.84Å; R274-G276 PolarHBondContact O-N 3.29Å; G276-I278 VanDerWaalsContact C-N 3.28Å
277V57.6Low57.8Low99 Ų9968.1 Ų68.160%0.639%0.387SS*.  trans-73.6-29175.7179.80000109.8L272 C275L272-V277 HydrophobicContact CD2-CB 3.92Å; L272-V277 HydrophobicContact CD2-CG1 3.82Å; L272-V277 HydrophobicContact CD2-CG2 4.26Å; L272-V277 PolarHBondContact O-N 2.84Å; C275-V277 HydrophobicContact CB-CG2 3.91Å; C275-V277 PolarHBondContact O-N 3.08Å
278I56.4Low56.9Low21 Ų2170.4 Ų70.411%0.10840%0.4CS..SBendtrans-94.7123.9173.8-54178.5000108.3L272 G276 N280 A291 V294 A295L272-I278 HydrophobicContact CB-CD1 3.99Å; L272-I278 HydrophobicContact CB-CG1 4.29Å; G276-I278 VanDerWaalsContact C-N 3.28Å; I278-N280 PolarHBondContact O-N 3.46Å; I278-A291 HydrophobicContact CG2-CB 4.21Å; I278-V294 HydrophobicContact CG2-CB 4.41Å; I278-V294 HydrophobicContact CG2-CG1 4.08Å; I278-A295 HydrophobicContact CD1-CB 3.82Å
279P54Low56.2Low58 Ų5867.2 Ų67.238%0.37738%0.381SS..  trans-66.5132.7-176.5-12.925000112.1A281 L282P279-A281 PolarHBondContact O-N 3.41Å; P279-A281 VanDerWaalsContact O-N 3.07Å; P279-L282 HydrophobicContact CB-CD1 3.54Å; P279-L282 HydrophobicContact CG-CD1 3.72Å
280N47.7Very low55.7Low122 Ų12267.9 Ų67.965%0.65239%0.393SS*.SBendtrans-65.1-10.3-168.2-71.3-56.8000117.1I278I278-N280 PolarHBondContact O-N 3.46Å
281A48.4Very low55.5Low54 Ų5467.7 Ų67.745%0.44639%0.392SS..EExtended strand (participates in β ladder)trans-162.9112.7175.300000108P279P279-A281 PolarHBondContact O-N 3.41Å; P279-A281 VanDerWaalsContact O-N 3.07Å
282L51.6Low55.3Low16 Ų1663.9 Ų63.98%0.08438%0.375CS..EExtended strand (participates in β ladder)trans-102.8130.7168.5-107.376.7000108.4I31 M42 P279 I284 V289I31-L282 HydrophobicContact CD1-CB 4.28Å; I31-L282 HydrophobicContact CD1-CD2 3.32Å; I31-L282 HydrophobicContact CD1-CG 3.58Å; I31-L282 HydrophobicContact CG1-CD2 4.21Å; I31-L282 HydrophobicContact CG1-CG 3.94Å; I31-L282 HydrophobicContact CG2-CD1 4.17Å; I31-L282 HydrophobicContact CG2-CD2 4.37Å; I31-L282 HydrophobicContact CG2-CG 3.84Å; M42-L282 HydrophobicContact CG-CD2 3.39Å; M42-L282 HydrophobicContact SD-CB 4.41Å; M42-L282 HydrophobicContact SD-CD2 3.25Å; M42-L282 WeakPolarHBondContact SD-CD2 3.22Å; M42-L282 HydrophobicContact SD-CG 4.42Å; P279-L282 HydrophobicContact CB-CD1 3.54Å; P279-L282 HydrophobicContact CG-CD1 3.72Å; L282-I284 PolarHBondContact O-N 2.87Å; L282-V289 HydrophobicContact CB-CG2 4.34Å; L282-V289 PolarHBondContact N-O 2.7Å; L282-V289 WeakPolarHBondContact O-CG2 3.2Å; L282-V289 PolarHBondContact O-N 3.46Å
283F47.5Very low55.4Low109 Ų10962.5 Ų62.548%0.47837%0.369SS..EExtended strand (participates in β ladder)trans-76109.5171.1-72.8-91.6000108.1N288F283-N288 WeakPolarHBondContact CE1-OD1 3.49Å; F283-N288 WeakPolarHBondContact CZ-OD1 3.39Å
284I48.9Very low55.8Low11 Ų1161.7 Ų61.76%0.05637%0.366CS..EExtended strand (participates in β ladder)trans-111.4120.1170.2-59179.3000106.5M42 N45 L282 G286 H287 V289M42-I284 HydrophobicContact SD-CD1 3.89Å; M42-I284 HydrophobicContact SD-CG1 4.45Å; N45-I284 WeakPolarHBondContact ND2-CG2 3.25Å; L282-I284 PolarHBondContact O-N 2.87Å; I284-G286 VanDerWaalsContact C-N 3.29Å; I284-G286 PolarHBondContact O-N 2.92Å; I284-G286 VanDerWaalsContact O-N 3.11Å; I284-H287 PolarHBondContact N-O 3.27Å; I284-H287 VanDerWaalsContact N-O 3.17Å; I284-H287 PolarHBondContact O-N 3.4Å; I284-V289 HydrophobicContact CB-CG1 4.45Å; I284-V289 HydrophobicContact CB-CG2 4.26Å; I284-V289 HydrophobicContact CD1-CG1 4.38Å; I284-V289 HydrophobicContact CD1-CG2 3.48Å; I284-V289 VanDerWaalsContact CD1-CG2 3.48Å; I284-V289 HydrophobicContact CG1-CG2 3.68Å
285E44.3Very low56.2Low136 Ų13655.7 Ų55.764%0.63635%0.345SS*.THydrogen-bonded Turntrans47.641.7175.9-62.3-176.7145.900115.4S106 H287S106-E285 PolarHBondContact OG-OE2 3.02Å; E285-H287 VanDerWaalsContact C-N 3.27Å; E285-H287 PolarHBondContact O-N 3.44Å
286G44.3Very low56.6Low65 Ų6551.6 Ų51.667%0.6732%0.317SS*.THydrogen-bonded Turntrans78.81.6178.500000115.5I284I284-G286 VanDerWaalsContact C-N 3.29Å; I284-G286 PolarHBondContact O-N 2.92Å; I284-G286 VanDerWaalsContact O-N 3.11Å
287H45.3Very low57.5Low131 Ų13149.3 Ų49.361%0.60629%0.294SS*.EExtended strand (participates in β ladder)trans-109.5139.1173.8-70-81.8000111.3I284 E285 V289I284-H287 PolarHBondContact N-O 3.27Å; I284-H287 VanDerWaalsContact N-O 3.17Å; I284-H287 PolarHBondContact O-N 3.4Å; E285-H287 VanDerWaalsContact C-N 3.27Å; E285-H287 PolarHBondContact O-N 3.44Å; H287-V289 PolarHBondContact O-N 3.22Å
288N49.7Very low58.6Low105 Ų10549.3 Ų49.356%0.56128%0.283SS*.EExtended strand (participates in β ladder)trans-78.3101.8175.1-69.6-53.2000108.7F283F283-N288 WeakPolarHBondContact CE1-OD1 3.49Å; F283-N288 WeakPolarHBondContact CZ-OD1 3.39Å
289V58.1Low59.9Low4 Ų449.8 Ų49.82%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-86.5135.2169.8-64.90000109.9L282 I284 H287 V294L282-V289 HydrophobicContact CB-CG2 4.34Å; L282-V289 PolarHBondContact N-O 2.7Å; L282-V289 WeakPolarHBondContact O-CG2 3.2Å; L282-V289 PolarHBondContact O-N 3.46Å; I284-V289 HydrophobicContact CB-CG1 4.45Å; I284-V289 HydrophobicContact CB-CG2 4.26Å; I284-V289 HydrophobicContact CD1-CG1 4.38Å; I284-V289 HydrophobicContact CD1-CG2 3.48Å; I284-V289 VanDerWaalsContact CD1-CG2 3.48Å; I284-V289 HydrophobicContact CG1-CG2 3.68Å; H287-V289 PolarHBondContact O-N 3.22Å; V289-V294 HydrophobicContact CG2-CG2 4.2Å
290G60.3Low61.3Low35 Ų3547 Ų4736%0.36127%0.267SS..EExtended strand (participates in β ladder)trans-68.1156.3175.800000112G292 T293 V294G290-G292 PolarHBondContact O-N 3.39Å; G290-T293 PolarHBondContact O-N 2.95Å; G290-T293 VanDerWaalsContact O-N 3.12Å; G290-V294 PolarHBondContact O-N 3.31Å
291A62.1Low63.2Low5 Ų542 Ų424%0.04124%0.24CC..Hα-helixtrans-57.8-32.6174.300000113.2E273 I278 T293 V294 A295E273-A291 HydrophobicContact CG-CB 4.07Å; I278-A291 HydrophobicContact CG2-CB 4.21Å; A291-T293 PolarHBondContact O-N 3.45Å; A291-V294 PolarHBondContact O-N 2.97Å; A291-A295 PolarHBondContact O-N 2.98Å
292G63.3Low65Low12 Ų1242.4 Ų42.412%0.12423%0.234CC..Hα-helixtrans-57-44.4172.800000113.3E273 G290 V294 A295 A296E273-G292 PolarHBondContact OE1-N 3.08Å; G290-G292 PolarHBondContact O-N 3.39Å; G292-V294 VanDerWaalsContact C-N 3.31Å; G292-V294 PolarHBondContact O-N 3.43Å; G292-A295 PolarHBondContact O-N 3.28Å; G292-A296 VanDerWaalsContact O-CB 3.28Å; G292-A296 WeakPolarHBondContact O-CB 3.42Å; G292-A296 PolarHBondContact O-N 3.26Å
293T70.1Confident66.8Low30 Ų3041.7 Ų41.718%0.18423%0.23CC..Hα-helixtrans-64-36.8178.4-47.60000111.8D108 G290 A291 A296 G297D108-T293 PolarHBondContact OD1-OG1 3.37Å; G290-T293 PolarHBondContact O-N 2.95Å; G290-T293 VanDerWaalsContact O-N 3.12Å; A291-T293 PolarHBondContact O-N 3.45Å; T293-A296 WeakPolarHBondContact O-CB 3.28Å; T293-G297 PolarHBondContact O-N 3.24Å
294V72Confident68.8Low11 Ų1136.5 Ų36.57%0.06721%0.207CC..Hα-helixtrans-69.2-43.4176.9170.80000111.4M42 I278 V289 G290 A291 G292 G297 W298M42-V294 HydrophobicContact CE-CB 4.14Å; M42-V294 HydrophobicContact CE-CG1 3.4Å; M42-V294 HydrophobicContact CE-CG2 3.87Å; M42-V294 HydrophobicContact SD-CG1 4.44Å; M42-V294 HydrophobicContact SD-CG2 4.12Å; I278-V294 HydrophobicContact CG2-CB 4.41Å; I278-V294 HydrophobicContact CG2-CG1 4.08Å; V289-V294 HydrophobicContact CG2-CG2 4.2Å; G290-V294 PolarHBondContact O-N 3.31Å; A291-V294 PolarHBondContact O-N 2.97Å; G292-V294 VanDerWaalsContact C-N 3.31Å; G292-V294 PolarHBondContact O-N 3.43Å; V294-G297 PolarHBondContact O-N 3.37Å; V294-W298 PolarHBondContact O-N 2.57Å; V294-W298 VanDerWaalsContact O-N 3.14Å
295A72.5Confident70.7Confident6 Ų638 Ų385%0.0522%0.215CC..Hα-helixtrans-61.3-46.5176.200000110.9L269 I278 A291 G292 G297 W298 Q299L269-A295 HydrophobicContact CB-CB 4.32Å; L269-A295 WeakPolarHBondContact CD1-O 3.43Å; I278-A295 HydrophobicContact CD1-CB 3.82Å; A291-A295 PolarHBondContact O-N 2.98Å; G292-A295 PolarHBondContact O-N 3.28Å; A295-G297 PolarHBondContact O-N 2.87Å; A295-W298 WeakPolarHBondContact O-CB 3.47Å; A295-W298 PolarHBondContact O-N 2.96Å; A295-Q299 PolarHBondContact O-N 3.22Å
296A74.4Confident72.8Confident4 Ų433.7 Ų33.73%0.03320%0.195CC..Hα-helixtrans-55.9-44.717300000113.4Y111 G292 T293 W298 Q299 N300Y111-A296 HydrophobicContact CD1-CB 4.43Å; Y111-A296 HydrophobicContact CD2-CB 4.17Å; Y111-A296 HydrophobicContact CE1-CB 3.73Å; Y111-A296 HydrophobicContact CE2-CB 3.44Å; Y111-A296 VanDerWaalsContact CE2-CB 3.44Å; Y111-A296 VanDerWaalsContact OH-CB 3.28Å; Y111-A296 WeakPolarHBondContact OH-CB 3.28Å; G292-A296 VanDerWaalsContact O-CB 3.28Å; G292-A296 WeakPolarHBondContact O-CB 3.42Å; G292-A296 PolarHBondContact O-N 3.26Å; T293-A296 WeakPolarHBondContact O-CB 3.28Å; A296-W298 VanDerWaalsContact C-N 3.33Å; A296-W298 PolarHBondContact O-N 3.32Å; A296-Q299 WeakPolarHBondContact O-CB 3.34Å; A296-Q299 PolarHBondContact O-N 3.47Å; A296-N300 VanDerWaalsContact O-CG 3.25Å; A296-N300 PolarHBondContact O-N 3Å; A296-N300 PolarHBondContact O-ND2 2.89Å
297G78.1Confident75Confident2 Ų230.7 Ų30.72%0.02116%0.163CC..Hα-helixtrans-58.3-43.2175.300000112.6L102 T293 V294 A295 N300 F301L102-G297 VanDerWaalsContact CD2-O 3.23Å; L102-G297 WeakPolarHBondContact CD2-O 3.41Å; T293-G297 PolarHBondContact O-N 3.24Å; V294-G297 PolarHBondContact O-N 3.37Å; A295-G297 PolarHBondContact O-N 2.87Å; G297-N300 PolarHBondContact O-N 3.05Å; G297-F301 PolarHBondContact O-N 2.8Å
298W80.9Confident77.2Confident98 Ų9826.4 Ų26.437%0.37114%0.143SC..Hα-helixtrans-64.2-40.9174.5-86.6106.2000112.6F43 L44 L269 V294 A295 A296 N300 F301 I302F43-W298 AromaticContact CD1-CH2 3.76Å; F43-W298 HydrophobicContact CD1-CH2 3.76Å; F43-W298 HydrophobicContact CD1-CZ2 4.41Å; F43-W298 HydrophobicContact CD1-CZ3 4.35Å; F43-W298 HydrophobicContact CE1-CH2 4.43Å; L44-W298 HydrophobicContact CD1-CB 4.44Å; L44-W298 HydrophobicContact CD1-CD2 4Å; L44-W298 HydrophobicContact CD1-CG 3.76Å; L44-W298 HydrophobicContact CD2-CD2 4.19Å; L44-W298 HydrophobicContact CD2-CE3 4.29Å; L44-W298 HydrophobicContact CG-CD2 4.22Å; L44-W298 HydrophobicContact CG-CG 4.48Å; L44-W298 HydrophobicContact CG-CZ2 4.4Å; L269-W298 HydrophobicContact CD2-CB 4.39Å; V294-W298 PolarHBondContact O-N 2.57Å; V294-W298 VanDerWaalsContact O-N 3.14Å; A295-W298 WeakPolarHBondContact O-CB 3.47Å; A295-W298 PolarHBondContact O-N 2.96Å; A296-W298 VanDerWaalsContact C-N 3.33Å; A296-W298 PolarHBondContact O-N 3.32Å; W298-N300 VanDerWaalsContact C-N 3.35Å; W298-N300 PolarHBondContact O-N 3.33Å; W298-F301 HydrophobicContact CE3-CD1 4.47Å; W298-F301 HydrophobicContact CZ3-CD1 4.35Å; W298-F301 PolarHBondContact O-N 3.27Å; W298-I302 WeakPolarHBondContact O-CG1 2.98Å; W298-I302 PolarHBondContact O-N 2.81Å; W298-I302 VanDerWaalsContact O-N 3.08Å
299Q83.6Confident79.1Confident31 Ų3127.2 Ų27.215%0.14514%0.142CC..Hα-helixtrans-58.1-49.3174.8-161.2174.5-35.100111.1Q265 G266 L269 A295 A296 F301 I302 I303Q265-Q299 HydrophobicContact CB-CG 4.22Å; G266-Q299 VanDerWaalsContact CA-OE1 3.24Å; L269-Q299 HydrophobicContact CD1-CB 3.43Å; L269-Q299 VanDerWaalsContact CD1-CB 3.43Å; L269-Q299 HydrophobicContact CD1-CG 3.84Å; A295-Q299 PolarHBondContact O-N 3.22Å; A296-Q299 WeakPolarHBondContact O-CB 3.34Å; A296-Q299 PolarHBondContact O-N 3.47Å; Q299-F301 VanDerWaalsContact C-N 3.31Å; Q299-F301 PolarHBondContact O-N 3.44Å; Q299-I302 PolarHBondContact O-N 3.02Å; Q299-I303 HydrophobicContact CG-CD1 3.93Å; Q299-I303 VanDerWaalsContact O-CG1 3.27Å; Q299-I303 WeakPolarHBondContact O-CG1 3.22Å; Q299-I303 PolarHBondContact O-N 3.32Å
300N85Confident80.5Confident0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-63.2-37.8-178.4-68.4-25.9000112.1S101 L102 R118 A296 G297 W298 I303 C304S101-N300 WeakPolarHBondContact CB-ND2 3.31Å; S101-N300 PolarHBondContact OG-ND2 3.14Å; L102-N300 HydrophobicContact CD2-CB 3.96Å; L102-N300 HydrophobicContact CG-CB 3.96Å; R118-N300 VanDerWaalsContact CZ-OD1 3.24Å; R118-N300 PolarHBondContact NH1-OD1 3.44Å; R118-N300 PolarHBondContact NH2-OD1 2.85Å; A296-N300 VanDerWaalsContact O-CG 3.25Å; A296-N300 PolarHBondContact O-N 3Å; A296-N300 PolarHBondContact O-ND2 2.89Å; G297-N300 PolarHBondContact O-N 3.05Å; W298-N300 VanDerWaalsContact C-N 3.35Å; W298-N300 PolarHBondContact O-N 3.33Å; N300-I303 PolarHBondContact O-N 3.2Å; N300-C304 PolarHBondContact O-N 3.11Å; N300-C304 PolarHBondContact O-SG 3.31Å
301F86.6Confident81.8Confident18 Ų1825.8 Ų25.88%0.07913%0.127CC..Hα-helixtrans-62.5-45.1174-178.3-100.6000112.7F43 L44 A49 L52 L102 G297 W298 Q299 C304 I305F43-F301 HydrophobicContact CE1-CE1 4.09Å; F43-F301 HydrophobicContact CE1-CE2 4.45Å; F43-F301 AromaticContact CE1-CZ 3.89Å; F43-F301 HydrophobicContact CE1-CZ 3.89Å; F43-F301 HydrophobicContact CZ-CZ 4.42Å; L44-F301 HydrophobicContact CD2-CB 3.64Å; L44-F301 HydrophobicContact CD2-CD2 4.37Å; L44-F301 HydrophobicContact CD2-CG 3.97Å; A49-F301 HydrophobicContact CB-CE2 4.12Å; L52-F301 HydrophobicContact CD2-CZ 4.42Å; L102-F301 HydrophobicContact CD1-CB 4.25Å; L102-F301 HydrophobicContact CD1-CD2 4.36Å; L102-F301 HydrophobicContact CD2-CB 4.19Å; G297-F301 PolarHBondContact O-N 2.8Å; W298-F301 HydrophobicContact CE3-CD1 4.47Å; W298-F301 HydrophobicContact CZ3-CD1 4.35Å; W298-F301 PolarHBondContact O-N 3.27Å; Q299-F301 VanDerWaalsContact C-N 3.31Å; Q299-F301 PolarHBondContact O-N 3.44Å; F301-C304 WeakPolarHBondContact O-CB 3.42Å; F301-C304 PolarHBondContact O-N 3.12Å; F301-I305 HydrophobicContact CD1-CD1 4.34Å; F301-I305 HydrophobicContact CE1-CD1 3.73Å; F301-I305 HydrophobicContact CZ-CD1 3.94Å; F301-I305 PolarHBondContact O-N 3.14Å
302I87.3Confident83.1Confident61 Ų6128.2 Ų28.231%0.31314%0.138SC..Hα-helixtrans-64.2-44.7176.9-65.9167.2000110.1W298 Q299 C304 I305 E306W298-I302 WeakPolarHBondContact O-CG1 2.98Å; W298-I302 PolarHBondContact O-N 2.81Å; W298-I302 VanDerWaalsContact O-N 3.08Å; Q299-I302 PolarHBondContact O-N 3.02Å; I302-C304 VanDerWaalsContact C-N 3.3Å; I302-C304 PolarHBondContact O-N 2.85Å; I302-I305 PolarHBondContact O-N 3.33Å; I302-E306 HydrophobicContact CG2-CG 4.1Å; I302-E306 WeakPolarHBondContact O-CG 3.38Å; I302-E306 PolarHBondContact O-N 3.34Å
303I88Confident84.2Confident2 Ų229.3 Ų29.31%0.0115%0.146CC..Hα-helixtrans-57.3-42.4177.6-69.5167.6000111.2Y94 S98 Q299 N300 I305 E306 M307Y94-I303 HydrophobicContact CD1-CG2 4.33Å; S98-I303 WeakPolarHBondContact OG-CG2 3.29Å; Q299-I303 HydrophobicContact CG-CD1 3.93Å; Q299-I303 VanDerWaalsContact O-CG1 3.27Å; Q299-I303 WeakPolarHBondContact O-CG1 3.22Å; Q299-I303 PolarHBondContact O-N 3.32Å; N300-I303 PolarHBondContact O-N 3.2Å; I303-I305 VanDerWaalsContact C-N 3.26Å; I303-I305 PolarHBondContact O-N 3.01Å; I303-E306 PolarHBondContact O-N 3.18Å; I303-M307 HydrophobicContact CG2-CE 4.03Å; I303-M307 HydrophobicContact CG2-CG 3.9Å; I303-M307 WeakPolarHBondContact O-CB 3.21Å; I303-M307 VanDerWaalsContact O-CG 3.24Å; I303-M307 WeakPolarHBondContact O-CG 3.43Å; I303-M307 PolarHBondContact O-N 2.79Å
304C88.9Confident84.9Confident0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-55.6-40.5176.6-72.50000112.8V57 N300 F301 I302V57-C304 HydrophobicContact CG2-CB 3.74Å; N300-C304 PolarHBondContact O-N 3.11Å; N300-C304 PolarHBondContact O-SG 3.31Å; F301-C304 WeakPolarHBondContact O-CB 3.42Å; F301-C304 PolarHBondContact O-N 3.12Å; I302-C304 VanDerWaalsContact C-N 3.3Å; I302-C304 PolarHBondContact O-N 2.85Å
305I89.2Confident85.5Confident43 Ų4332.3 Ų32.322%0.22115%0.153CC..Hα-helixtrans-74.3-42.8178.5-62.6172.7000110.5F56 F301 I302 I303 M307 F308 F309F56-I305 HydrophobicContact CD2-CG1 4Å; F56-I305 HydrophobicContact CE2-CG1 4.28Å; F56-I305 HydrophobicContact CG-CG1 4.5Å; F301-I305 HydrophobicContact CD1-CD1 4.34Å; F301-I305 HydrophobicContact CE1-CD1 3.73Å; F301-I305 HydrophobicContact CZ-CD1 3.94Å; F301-I305 PolarHBondContact O-N 3.14Å; I302-I305 PolarHBondContact O-N 3.33Å; I303-I305 VanDerWaalsContact C-N 3.26Å; I303-I305 PolarHBondContact O-N 3.01Å; I305-M307 VanDerWaalsContact C-N 3.34Å; I305-M307 PolarHBondContact O-N 3.12Å; I305-F308 WeakPolarHBondContact O-CB 3.46Å; I305-F308 PolarHBondContact O-N 3.24Å; I305-F309 HydrophobicContact CG2-CD2 4.24Å; I305-F309 HydrophobicContact CG2-CE2 3.81Å; I305-F309 WeakPolarHBondContact O-CD2 3.35Å
306E89.5Confident86.1Confident45 Ų4540.5 Ų40.521%0.2118%0.184CC..Hα-helixtrans-64.8-37.8-179.4-72-169.615500113Q265 I302 I303 F308 F309 A310Q265-E306 PolarHBondContact NE2-OE1 3.34Å; Q265-E306 PolarHBondContact NE2-OE2 3Å; I302-E306 HydrophobicContact CG2-CG 4.1Å; I302-E306 WeakPolarHBondContact O-CG 3.38Å; I302-E306 PolarHBondContact O-N 3.34Å; I303-E306 PolarHBondContact O-N 3.18Å; E306-F308 PolarHBondContact O-N 3.17Å; E306-F309 PolarHBondContact O-N 2.93Å; E306-F309 VanDerWaalsContact O-N 3.12Å; E306-A310 WeakPolarHBondContact O-CB 3.34Å; E306-A310 PolarHBondContact O-N 3.45Å
307M89.9Confident86.3Confident1 Ų140.8 Ų40.81%0.00519%0.187CC..Hα-helixtrans-61.9-28.2178.2-71.6-56.5129.500112.4V91 Y94 A95 V258 I303 I305 A311V91-M307 HydrophobicContact CG1-CB 4.27Å; V91-M307 HydrophobicContact CG2-SD 4.48Å; Y94-M307 HydrophobicContact CD1-CE 4.03Å; Y94-M307 HydrophobicContact CG-CE 4.31Å; Y94-M307 HydrophobicContact CG-SD 4.35Å; A95-M307 HydrophobicContact CB-CB 3.88Å; A95-M307 HydrophobicContact CB-CG 4.21Å; V258-M307 HydrophobicContact CG1-CE 3.91Å; I303-M307 HydrophobicContact CG2-CE 4.03Å; I303-M307 HydrophobicContact CG2-CG 3.9Å; I303-M307 WeakPolarHBondContact O-CB 3.21Å; I303-M307 VanDerWaalsContact O-CG 3.24Å; I303-M307 WeakPolarHBondContact O-CG 3.43Å; I303-M307 PolarHBondContact O-N 2.79Å; I305-M307 VanDerWaalsContact C-N 3.34Å; I305-M307 PolarHBondContact O-N 3.12Å; M307-A311 WeakPolarHBondContact O-CB 3.31Å; M307-A311 PolarHBondContact O-N 2.97Å
308F90.8Very high86.3Confident41 Ų4141 Ų4118%0.1819%0.187CC..Hα-helixtrans-65.8-50171.7172.5-107.6000112.3F56 S59 A60 I63 I305 E306 A310 A311 I312F56-F308 HydrophobicContact CB-CB 4.37Å; F56-F308 HydrophobicContact CD1-CB 3.99Å; F56-F308 AromaticContact CD1-CD1 3.83Å; F56-F308 HydrophobicContact CD1-CD1 3.83Å; F56-F308 HydrophobicContact CD1-CE1 4.45Å; F56-F308 AromaticContact CD1-CG 3.86Å; F56-F308 HydrophobicContact CD1-CG 3.86Å; F56-F308 HydrophobicContact CE1-CD1 4.05Å; F56-F308 HydrophobicContact CE1-CE1 4.38Å; S59-F308 WeakPolarHBondContact OG-CD2 3.41Å; S59-F308 VanDerWaalsContact OG-CE2 3.22Å; S59-F308 WeakPolarHBondContact OG-CE2 3.33Å; A60-F308 HydrophobicContact CB-CB 4.32Å; I63-F308 HydrophobicContact CD1-CD2 4.22Å; I63-F308 HydrophobicContact CD1-CE2 3.78Å; I305-F308 WeakPolarHBondContact O-CB 3.46Å; I305-F308 PolarHBondContact O-N 3.24Å; E306-F308 PolarHBondContact O-N 3.17Å; F308-A310 VanDerWaalsContact C-N 3.31Å; F308-A310 PolarHBondContact O-N 3Å; F308-A311 WeakPolarHBondContact O-CB 3.3Å; F308-A311 PolarHBondContact O-N 3.25Å; F308-I312 HydrophobicContact CD1-CD1 4.32Å; F308-I312 HydrophobicContact CE1-CD1 3.75Å; F308-I312 HydrophobicContact CE2-CD1 4.13Å; F308-I312 HydrophobicContact CZ-CD1 3.66Å; F308-I312 PolarHBondContact O-N 3.4Å
309F89.5Confident86.1Confident123 Ų12339 Ų3954%0.53919%0.186SC..Hα-helixtrans-65.6-37.1176.7-67.1-71.2000111.7I305 E306 A311 I312 A313I305-F309 HydrophobicContact CG2-CD2 4.24Å; I305-F309 HydrophobicContact CG2-CE2 3.81Å; I305-F309 WeakPolarHBondContact O-CD2 3.35Å; E306-F309 PolarHBondContact O-N 2.93Å; E306-F309 VanDerWaalsContact O-N 3.12Å; F309-A311 PolarHBondContact O-N 3.2Å; F309-I312 PolarHBondContact O-N 3.38Å; F309-A313 WeakPolarHBondContact O-CB 2.99Å; F309-A313 PolarHBondContact O-N 3.46Å
310A87.8Confident85.3Confident8 Ų838.2 Ų38.27%0.06618%0.183CC..Hα-helixtrans-61.6-41.1173.800000111.8V91 V258 E306 F308 I312 A313 L314V91-A310 HydrophobicContact CG2-CB 4.36Å; V258-A310 HydrophobicContact CG2-CB 3.6Å; E306-A310 WeakPolarHBondContact O-CB 3.34Å; E306-A310 PolarHBondContact O-N 3.45Å; F308-A310 VanDerWaalsContact C-N 3.31Å; F308-A310 PolarHBondContact O-N 3Å; A310-I312 VanDerWaalsContact C-N 3.3Å; A310-I312 PolarHBondContact O-N 3.23Å; A310-A313 PolarHBondContact O-N 3.25Å; A310-L314 VanDerWaalsContact O-CB 3.3Å; A310-L314 WeakPolarHBondContact O-CB 3.31Å; A310-L314 WeakPolarHBondContact O-CG 3.19Å; A310-L314 PolarHBondContact O-N 3.3Å
311A89.1Confident84.6Confident0 Ų041.6 Ų41.60%020%0.204CC..Hα-helixtrans-58.7-43175.300000111.6A60 I63 V91 M307 F308 F309 R315A60-A311 HydrophobicContact CB-CB 4.26Å; I63-A311 HydrophobicContact CB-CB 4.29Å; I63-A311 HydrophobicContact CG2-CB 4.02Å; V91-A311 HydrophobicContact CG1-CB 3.94Å; M307-A311 WeakPolarHBondContact O-CB 3.31Å; M307-A311 PolarHBondContact O-N 2.97Å; F308-A311 WeakPolarHBondContact O-CB 3.3Å; F308-A311 PolarHBondContact O-N 3.25Å; F309-A311 PolarHBondContact O-N 3.2Å; A311-R315 WeakPolarHBondContact O-CB 3.35Å; A311-R315 PolarHBondContact O-N 3.42Å
312I88.8Confident83.9Confident56 Ų5645.3 Ų45.329%0.28723%0.228SC..Hα-helixtrans-66.4-46.7176.7-63.6170.4000110.3I63 F308 F309 A310 R315 Y316I63-I312 HydrophobicContact CD1-CG1 4.05Å; F308-I312 HydrophobicContact CD1-CD1 4.32Å; F308-I312 HydrophobicContact CE1-CD1 3.75Å; F308-I312 HydrophobicContact CE2-CD1 4.13Å; F308-I312 HydrophobicContact CZ-CD1 3.66Å; F308-I312 PolarHBondContact O-N 3.4Å; F309-I312 PolarHBondContact O-N 3.38Å; A310-I312 VanDerWaalsContact C-N 3.3Å; A310-I312 PolarHBondContact O-N 3.23Å; I312-R315 WeakPolarHBondContact O-CB 3.12Å; I312-R315 PolarHBondContact O-N 3.45Å; I312-Y316 HydrophobicContact CG2-CD2 3.94Å; I312-Y316 HydrophobicContact CG2-CE2 3.59Å; I312-Y316 WeakPolarHBondContact O-CD2 3.48Å; I312-Y316 PolarHBondContact O-N 3.45Å
313A86.1Confident83Confident35 Ų3543.3 Ų43.329%0.28922%0.217SC..Hα-helixtrans-62.6-44.1179.400000112.2T254 F309 A310 R315 Y316 A317T254-A313 HydrophobicContact CG2-CB 3.67Å; F309-A313 WeakPolarHBondContact O-CB 2.99Å; F309-A313 PolarHBondContact O-N 3.46Å; A310-A313 PolarHBondContact O-N 3.25Å; A313-R315 VanDerWaalsContact C-N 3.27Å; A313-R315 PolarHBondContact O-N 3.42Å; A313-Y316 PolarHBondContact O-N 2.93Å; A313-Y316 VanDerWaalsContact O-N 3.16Å; A313-A317 WeakPolarHBondContact O-CB 3.23Å; A313-A317 PolarHBondContact O-N 3.43Å
314L84.7Confident81.9Confident4 Ų446.8 Ų46.82%0.02123%0.233CC..Hα-helixtrans-64.7-30.9175.7-75.4167.3000112.2Q67 I87 I90 V91 T254 I255 A310 F318Q67-L314 PolarHBondContact NE2-O 3.06Å; I87-L314 HydrophobicContact CG2-CD2 4.46Å; I90-L314 HydrophobicContact CG2-CD1 4.14Å; V91-L314 HydrophobicContact CG2-CD1 3.42Å; V91-L314 VanDerWaalsContact CG2-CD1 3.42Å; T254-L314 HydrophobicContact CG2-CD2 3.94Å; T254-L314 HydrophobicContact CG2-CG 4.03Å; I255-L314 HydrophobicContact CG1-CD2 4.17Å; A310-L314 VanDerWaalsContact O-CB 3.3Å; A310-L314 WeakPolarHBondContact O-CB 3.31Å; A310-L314 WeakPolarHBondContact O-CG 3.19Å; A310-L314 PolarHBondContact O-N 3.3Å; L314-F318 HydrophobicContact CD2-CD2 3.87Å; L314-F318 HydrophobicContact CD2-CE2 3.75Å; L314-F318 WeakPolarHBondContact O-CB 3.35Å; L314-F318 PolarHBondContact O-N 3.46Å
315R85.7Confident80.5Confident100 Ų10054.3 Ų54.338%0.37727%0.266SS..Hα-helixtrans-63.1-42.8171.7-170.5178.8-179.1108.5-4112.4H66 A311 I312 A313H66-R315 PolarHBondContact ND1-NH1 3.26Å; H66-R315 VanDerWaalsContact ND1-NH1 3.14Å; A311-R315 WeakPolarHBondContact O-CB 3.35Å; A311-R315 PolarHBondContact O-N 3.42Å; I312-R315 WeakPolarHBondContact O-CB 3.12Å; I312-R315 PolarHBondContact O-N 3.45Å; A313-R315 VanDerWaalsContact C-N 3.27Å; A313-R315 PolarHBondContact O-N 3.42Å
316Y83.1Confident79Confident178 Ų17858.2 Ų58.270%0.69828%0.281SS*.Hα-helixtrans-72.9-44.9176.4-72.8-67.1000112I312 A313 F318 T319I312-Y316 HydrophobicContact CG2-CD2 3.94Å; I312-Y316 HydrophobicContact CG2-CE2 3.59Å; I312-Y316 WeakPolarHBondContact O-CD2 3.48Å; I312-Y316 PolarHBondContact O-N 3.45Å; A313-Y316 PolarHBondContact O-N 2.93Å; A313-Y316 VanDerWaalsContact O-N 3.16Å; Y316-F318 PolarHBondContact O-N 3.2Å; Y316-T319 PolarHBondContact O-OG1 2.98Å
317A80.3Confident77.3Confident11 Ų1159.8 Ų59.89%0.09129%0.291CS..Hα-helixtrans-61.9-41.4-179.800000112.5K251 T254 A313K251-A317 WeakPolarHBondContact CE-O 3.48Å; K251-A317 HydrophobicContact CG-CB 4.1Å; K251-A317 VanDerWaalsContact CG-O 3.27Å; K251-A317 WeakPolarHBondContact CG-O 3.36Å; T254-A317 HydrophobicContact CG2-CB 4.39Å; A313-A317 WeakPolarHBondContact O-CB 3.23Å; A313-A317 PolarHBondContact O-N 3.43Å
318F77.4Confident75.6Confident5 Ų566.2 Ų66.22%0.02233%0.326CS..THydrogen-bonded Turntrans-113.364.5-179.3-63.3-73.7000111.9Q67 H71 I84 I87 L88 L132 K251 I255 L314 Y316 C320Q67-F318 PolarHBondContact NE2-O 2.87Å; Q67-F318 VanDerWaalsContact NE2-O 3.15Å; H71-F318 PolarHBondContact NE2-O 3.09Å; H71-F318 VanDerWaalsContact NE2-O 3.13Å; I84-F318 HydrophobicContact CD1-CD1 4.29Å; I84-F318 HydrophobicContact CG1-CD1 3.91Å; I84-F318 HydrophobicContact CG1-CE1 4.16Å; I84-F318 HydrophobicContact CG2-CB 3.96Å; I84-F318 HydrophobicContact CG2-CD1 3.93Å; I84-F318 HydrophobicContact CG2-CG 4Å; I87-F318 HydrophobicContact CG2-CE2 4.31Å; L88-F318 HydrophobicContact CD1-CB 4.2Å; L88-F318 HydrophobicContact CD1-CD2 4.07Å; L88-F318 HydrophobicContact CD1-CG 4.26Å; L132-F318 HydrophobicContact CD2-CE1 3.83Å; L132-F318 HydrophobicContact CD2-CZ 4.37Å; K251-F318 HydrophobicContact CB-CE1 4.39Å; K251-F318 HydrophobicContact CB-CZ 4.14Å; K251-F318 HydrophobicContact CD-CD1 4.47Å; K251-F318 HydrophobicContact CD-CE1 4.08Å; K251-F318 HydrophobicContact CG-CE1 4.11Å; K251-F318 HydrophobicContact CG-CZ 4.24Å; I255-F318 HydrophobicContact CD1-CE2 3.78Å; I255-F318 HydrophobicContact CD1-CZ 3.64Å; I255-F318 HydrophobicContact CG1-CE2 4.23Å; L314-F318 HydrophobicContact CD2-CD2 3.87Å; L314-F318 HydrophobicContact CD2-CE2 3.75Å; L314-F318 WeakPolarHBondContact O-CB 3.35Å; L314-F318 PolarHBondContact O-N 3.46Å; Y316-F318 PolarHBondContact O-N 3.2Å; F318-C320 PolarHBondContact O-N 3.39Å
319T77.7Confident73.8Confident57 Ų5769 Ų6935%0.3535%0.345SS..  trans-67.5123.9-179-65.70000111.9Y316 T321Y316-T319 PolarHBondContact O-OG1 2.98Å; T319-T321 VanDerWaalsContact C-N 3.28Å; T319-T321 HydrophobicContact CG2-CG2 3.88Å; T319-T321 WeakPolarHBondContact CG2-OG1 3.49Å; T319-T321 PolarHBondContact O-N 3.27Å
320C66.5Low71.8Confident14 Ų1469 Ų6910%0.09536%0.358CS..THydrogen-bonded Turntrans-71.5-16.2-179-47.60000114.4T70 H71 F318 V322 Y323 Q324T70-C320 HydrophobicContact CG2-CB 3.62Å; H71-C320 PolarHBondContact CD2-SG 3.38Å; H71-C320 PolarHBondContact CE1-SG 2.79Å; H71-C320 PolarHBondContact NE2-SG 3.38Å; F318-C320 PolarHBondContact O-N 3.39Å; C320-V322 PolarHBondContact O-N 3.45Å; C320-Y323 PolarHBondContact O-N 3.38Å; C320-Y323 VanDerWaalsContact O-N 3.1Å; C320-Q324 PolarHBondContact O-N 3.4Å; C320-Q324 VanDerWaalsContact O-N 3.12Å
321T69.3Low69.8Low71 Ų7176.6 Ų76.644%0.43639%0.392SS..Hα-helixtrans-64.6-25.5-174.263.50000112.9T319 Y323 Q324 K325T319-T321 VanDerWaalsContact C-N 3.28Å; T319-T321 HydrophobicContact CG2-CG2 3.88Å; T319-T321 WeakPolarHBondContact CG2-OG1 3.49Å; T319-T321 PolarHBondContact O-N 3.27Å; T321-Y323 VanDerWaalsContact C-N 3.32Å; T321-Y323 PolarHBondContact O-N 3.31Å; T321-Q324 PolarHBondContact O-N 3.26Å; T321-K325 PolarHBondContact O-N 2.92Å
322V72.1Confident67.7Low97 Ų9784.6 Ų84.659%0.58844%0.435SS*.Hα-helixtrans-62.8-40.6174.8-175.90000110.8C320C320-V322 PolarHBondContact O-N 3.45Å
323Y68.9Low65.8Low18 Ų1888.2 Ų88.27%0.07145%0.454CS..Hα-helixtrans-83-23.3179.8-59.5-71.5000112.9T76 V77 E80 Q81 I84 C320 T321 N327T76-Y323 PolarHBondContact OG1-O 3.48Å; V77-Y323 HydrophobicContact CB-CD1 4.31Å; V77-Y323 HydrophobicContact CB-CE1 4.1Å; V77-Y323 HydrophobicContact CG2-CD1 4.17Å; V77-Y323 HydrophobicContact CG2-CE1 4.21Å; E80-Y323 WeakPolarHBondContact OE2-CE1 3.25Å; E80-Y323 PolarHBondContact OE2-OH 3.12Å; Q81-Y323 HydrophobicContact CG-CD1 3.99Å; Q81-Y323 HydrophobicContact CG-CD2 4.26Å; Q81-Y323 HydrophobicContact CG-CE1 3.95Å; Q81-Y323 HydrophobicContact CG-CE2 4.22Å; Q81-Y323 HydrophobicContact CG-CG 4.16Å; I84-Y323 HydrophobicContact CD1-CE2 3.96Å; I84-Y323 WeakPolarHBondContact CD1-OH 3.37Å; C320-Y323 PolarHBondContact O-N 3.38Å; C320-Y323 VanDerWaalsContact O-N 3.1Å; T321-Y323 VanDerWaalsContact C-N 3.32Å; T321-Y323 PolarHBondContact O-N 3.31Å; Y323-N327 PolarHBondContact O-ND2 3.18Å; Y323-N327 VanDerWaalsContact O-ND2 3.1Å
324Q64.3Low63.8Low75 Ų7592 Ų9235%0.3548%0.476SS..Hα-helixtrans-68.5-46.1173.4-77173.4-5.100111.9T70 S74 C320 T321 K326 N327T70-Q324 VanDerWaalsContact CG2-NE2 3.27Å; S74-Q324 WeakPolarHBondContact OG-CG 3.26Å; C320-Q324 PolarHBondContact O-N 3.4Å; C320-Q324 VanDerWaalsContact O-N 3.12Å; T321-Q324 PolarHBondContact O-N 3.26Å; Q324-K326 PolarHBondContact O-N 3.26Å; Q324-N327 WeakPolarHBondContact O-CB 3.4Å; Q324-N327 PolarHBondContact O-N 3.37Å
325K60.3Low62.2Low158 Ų15897.5 Ų97.569%0.68751%0.512SS*.Hα-helixtrans-62.1-26.1178.1-72.3-179.4179.3179.80113.5T321 D328T321-K325 PolarHBondContact O-N 2.92Å; K325-D328 PolarHBondContact O-N 3.33Å
326K57.9Low60.5Low125 Ų12595.8 Ų95.854%0.54351%0.509SS..Hα-helixtrans-75.6-24.6176.9-157.4173.4-179.8-1790112.5V77 Q324 D328 V329V77-K326 HydrophobicContact CG2-CD 3.86Å; Q324-K326 PolarHBondContact O-N 3.26Å; K326-D328 VanDerWaalsContact C-N 3.3Å; K326-V329 PolarHBondContact O-N 3.34Å
327N52.9Low59.1Low78 Ų7896 Ų9642%0.41752%0.516SS..Hα-helixtrans-71-22.3172.6-81-71000113.3S74 T76 Y323 Q324 V329S74-N327 WeakPolarHBondContact CB-ND2 3.29Å; T76-N327 HydrophobicContact CG2-CB 4.08Å; T76-N327 WeakPolarHBondContact CG2-ND2 3.07Å; T76-N327 WeakPolarHBondContact CG2-OD1 3.27Å; Y323-N327 PolarHBondContact O-ND2 3.18Å; Y323-N327 VanDerWaalsContact O-ND2 3.1Å; Q324-N327 WeakPolarHBondContact O-CB 3.4Å; Q324-N327 PolarHBondContact O-N 3.37Å; N327-V329 PolarHBondContact O-N 2.86Å
328D54.3Low58.2Low137 Ų13798.9 Ų98.973%0.73354%0.536SS*.THydrogen-bonded Turntrans-74.4-7.4179.4-67.2-39.1000112.4K325 K326K325-D328 PolarHBondContact O-N 3.33Å; K326-D328 VanDerWaalsContact C-N 3.3Å
329V53.2Low57.7Low98 Ų98102.5 Ų102.559%0.59455%0.554SS**SBendtrans-89.2115.3167.6-175.50000107.7K326 N327 E331K326-V329 PolarHBondContact O-N 3.34Å; N327-V329 PolarHBondContact O-N 2.86Å; V329-E331 PolarHBondContact O-N 3.44Å
330P47.3Very low57.2Low125 Ų125103.7 Ų103.781%0.81257%0.565SS**  trans-7794.3-174.230.1-31.4000109.8
331E46.3Very low57Low167 Ų167105.3 Ų105.378%0.7858%0.576SS**  trans-114129.4164.2-149.6168.9-161.100108.6V329 L333V329-E331 PolarHBondContact O-N 3.44Å; E331-L333 PolarHBondContact O-N 3.42Å
332N44.7Very low56.8Low168 Ų168102 Ų10290%0.89856%0.556SS**  trans-67.361.1-168.1-71.2-59.4000113.6
333L49Very low56.9Low132 Ų13299.9 Ų99.969%0.69154%0.541SS*.PPolyproline II helixtrans-91.7132.2165.4-94.382.2000110E331E331-L333 PolarHBondContact O-N 3.42Å
334P44.8Very low57.1Low114 Ų114107 Ų10774%0.7457%0.573SS**PPolyproline II helixtrans-62.3129.7174.225.5-31000108.8M336P334-M336 PolarHBondContact O-N 3.45Å
335P50.3Low57.3Low120 Ų120109 Ų10978%0.77958%0.582SS**PPolyproline II helixtrans-56.5133.3169.824.1-31.5000107.9Q337P335-Q337 PolarHBondContact O-N 2.94Å
336M50.9Low57.5Low63 Ų63101.4 Ų101.431%0.3155%0.549SS..  trans-36.2131.3-177.5-97.8169.640.300113.3Y75 P334 S338Y75-M336 HydrophobicContact CD1-SD 3.66Å; Y75-M336 HydrophobicContact CE1-SD 4.18Å; Y75-M336 HydrophobicContact CG-SD 4.05Å; P334-M336 PolarHBondContact O-N 3.45Å; M336-S338 VanDerWaalsContact C-N 3.33Å; M336-S338 PolarHBondContact O-N 3.43Å
337Q53.8Low58.2Low183 Ų18399.1 Ų99.186%0.85554%0.542SS*.SBendtrans-66.392.7165.2-69.7-173.7-1500108.8P335 S341P335-Q337 PolarHBondContact O-N 2.94Å; Q337-S341 WeakPolarHBondContact O-CB 3.25Å
338S60Low59.2Low71 Ų7199.5 Ų99.550%0.49754%0.544SS..  trans67.3128.8-178.4-169.20000116.3M336 S340 S341 G342M336-S338 VanDerWaalsContact C-N 3.33Å; M336-S338 PolarHBondContact O-N 3.43Å; S338-S340 PolarHBondContact O-N 3.02Å; S338-S340 VanDerWaalsContact O-N 3.09Å; S338-S340 PolarHBondContact OG-N 3.24Å; S338-S340 PolarHBondContact OG-OG 3.17Å; S338-S341 PolarHBondContact O-N 3.26Å; S338-G342 PolarHBondContact O-N 3.11Å
339I66.6Low60.2Low81 Ų8196 Ų9642%0.41553%0.529SS..Hα-helixtrans-52.3-32.3173.1-62.5172.7000111.4Y69 L72 L343Y69-I339 HydrophobicContact CE2-CD1 3.96Å; L72-I339 HydrophobicContact CB-CG2 4.31Å; L72-I339 HydrophobicContact CD1-CG2 3.88Å; I339-L343 WeakPolarHBondContact O-CB 3.12Å; I339-L343 PolarHBondContact O-N 2.97Å
340S67.1Low61Low82 Ų8292.7 Ų92.757%0.57352%0.515SS*.Hα-helixtrans-68.1-34.1177.567.40000113.4S338 K344S338-S340 PolarHBondContact O-N 3.02Å; S338-S340 VanDerWaalsContact O-N 3.09Å; S338-S340 PolarHBondContact OG-N 3.24Å; S338-S340 PolarHBondContact OG-OG 3.17Å; S340-K344 WeakPolarHBondContact O-CB 3.5Å; S340-K344 PolarHBondContact O-N 3.15Å
341S63.4Low62.3Low48 Ų4888.1 Ų88.134%0.33648%0.483SS..Hα-helixtrans-69.7-47.2179.5-159.40000110.4Q337 S338 L343 K344 E345Q337-S341 WeakPolarHBondContact O-CB 3.25Å; S338-S341 PolarHBondContact O-N 3.26Å; S341-L343 VanDerWaalsContact C-N 3.3Å; S341-L343 PolarHBondContact O-N 2.95Å; S341-K344 PolarHBondContact O-N 3.34Å; S341-K344 VanDerWaalsContact O-N 3.15Å; S341-E345 WeakPolarHBondContact O-CG 3.2Å; S341-E345 PolarHBondContact O-N 2.74Å
342G65.6Low63.7Low1 Ų182.1 Ų82.11%0.0146%0.456CS..Hα-helixtrans-68.2-28.9176.700000113.1S338 T346S338-G342 PolarHBondContact O-N 3.11Å; G342-T346 WeakPolarHBondContact O-CB 3.28Å; G342-T346 PolarHBondContact O-N 3.01Å; G342-T346 PolarHBondContact O-OG1 3.33Å
343L72.7Confident65.2Low53 Ų5377.9 Ų77.928%0.27744%0.436SS..Hα-helixtrans-65-44.5170-174.462.5000111.8L72 F89 I339 S341 T346 I347L72-L343 HydrophobicContact CD1-CD1 4.21Å; F89-L343 HydrophobicContact CE2-CD1 3.81Å; F89-L343 HydrophobicContact CZ-CD1 3.8Å; I339-L343 WeakPolarHBondContact O-CB 3.12Å; I339-L343 PolarHBondContact O-N 2.97Å; S341-L343 VanDerWaalsContact C-N 3.3Å; S341-L343 PolarHBondContact O-N 2.95Å; L343-T346 PolarHBondContact O-N 3.4Å; L343-I347 HydrophobicContact CD1-CD1 3.63Å; L343-I347 HydrophobicContact CD1-CG1 4.15Å; L343-I347 HydrophobicContact CD2-CD1 4.44Å; L343-I347 HydrophobicContact CG-CD1 3.76Å; L343-I347 WeakPolarHBondContact O-CB 3.37Å; L343-I347 VanDerWaalsContact O-CG1 3.31Å; L343-I347 WeakPolarHBondContact O-CG1 3.4Å; L343-I347 PolarHBondContact O-N 2.93Å
344K73.6Confident66.4Low167 Ų16778.2 Ų78.273%0.72643%0.434SS*.Hα-helixtrans-63-45.2178.1-177.9-178.6176-175.10111.9S340 S341 T346 I347 N348S340-K344 WeakPolarHBondContact O-CB 3.5Å; S340-K344 PolarHBondContact O-N 3.15Å; S341-K344 PolarHBondContact O-N 3.34Å; S341-K344 VanDerWaalsContact O-N 3.15Å; K344-T346 VanDerWaalsContact C-N 3.31Å; K344-I347 PolarHBondContact O-N 3.42Å; K344-N348 PolarHBondContact O-N 2.85Å
345E67.9Low67.6Low117 Ų11774.3 Ų74.355%0.54741%0.407SS..Hα-helixtrans-63.4-40.4175.5-74170.1-163.100111.3R82 S341 I347R82-E345 PolarHBondContact NE-O 2.91Å; R82-E345 VanDerWaalsContact NE-O 3.13Å; R82-E345 PolarHBondContact NH2-O 2.81Å; S341-E345 WeakPolarHBondContact O-CG 3.2Å; S341-E345 PolarHBondContact O-N 2.74Å; E345-I347 PolarHBondContact O-N 3.38Å
346T65.3Low68.6Low0 Ų070 Ų700%038%0.382CS..Hα-helixtrans-64.5-39.3178-670000112.1Y75 R82 I85 R86 G342 L343 K344Y75-T346 PolarHBondContact OH-OG1 3.42Å; R82-T346 HydrophobicContact CB-CG2 4.36Å; R82-T346 HydrophobicContact CG-CG2 4.08Å; I85-T346 HydrophobicContact CB-CG2 3.67Å; I85-T346 HydrophobicContact CD1-CG2 4.08Å; I85-T346 HydrophobicContact CG1-CG2 4.5Å; I85-T346 HydrophobicContact CG2-CG2 3.56Å; R86-T346 PolarHBondContact NE-O 3.2Å; R86-T346 PolarHBondContact NH2-O 3.48Å; G342-T346 WeakPolarHBondContact O-CB 3.28Å; G342-T346 PolarHBondContact O-N 3.01Å; G342-T346 PolarHBondContact O-OG1 3.33Å; L343-T346 PolarHBondContact O-N 3.4Å; K344-T346 VanDerWaalsContact C-N 3.31Å
347I71.9Confident69.8Low76 Ų7672.3 Ų72.339%0.3939%0.394SS..Hα-helixtrans-83.1-16.1-175.3-67.3173.8000113.2F89 L343 K344 E345 P349F89-I347 HydrophobicContact CE2-CD1 3.82Å; F89-I347 HydrophobicContact CE2-CG1 4.13Å; F89-I347 HydrophobicContact CZ-CD1 3.99Å; L343-I347 HydrophobicContact CD1-CD1 3.63Å; L343-I347 HydrophobicContact CD1-CG1 4.15Å; L343-I347 HydrophobicContact CD2-CD1 4.44Å; L343-I347 HydrophobicContact CG-CD1 3.76Å; L343-I347 WeakPolarHBondContact O-CB 3.37Å; L343-I347 VanDerWaalsContact O-CG1 3.31Å; L343-I347 WeakPolarHBondContact O-CG1 3.4Å; L343-I347 PolarHBondContact O-N 2.93Å; K344-I347 PolarHBondContact O-N 3.42Å; E345-I347 PolarHBondContact O-N 3.38Å; I347-P349 WeakPolarHBondContact O-CD 3.39Å
348N75.5Confident70.7Confident87 Ų8766.5 Ų66.547%0.46537%0.366SS..  trans-59.7119-176.9-176.5-5000112.3R82 R86 K344 G350R82-N348 PolarHBondContact NH2-O 2.83Å; R86-N348 PolarHBondContact NH2-O 2.92Å; K344-N348 PolarHBondContact O-N 2.85Å; N348-G350 PolarHBondContact O-N 3.23Å; N348-G350 PolarHBondContact OD1-N 3.24Å
349P74.7Confident71Confident64 Ų6463.7 Ų63.742%0.41635%0.346SS..THydrogen-bonded Turntrans-75.33.6-17932.5-37.2000114.2F124 I347 D351 M352 V353F124-P349 HydrophobicContact CE2-CB 4.21Å; I347-P349 WeakPolarHBondContact O-CD 3.39Å; P349-D351 PolarHBondContact O-N 2.9Å; P349-D351 VanDerWaalsContact O-N 3.1Å; P349-M352 WeakPolarHBondContact O-CB 3.24Å; P349-M352 PolarHBondContact O-N 2.75Å; P349-V353 PolarHBondContact O-N 3.13Å
350G70.5Confident71.3Confident28 Ų2865.3 Ų65.329%0.28935%0.35SS..Hα-helixtrans-50-35.9-177.200000114.8N348 M352 V353 Q354N348-G350 PolarHBondContact O-N 3.23Å; N348-G350 PolarHBondContact OD1-N 3.24Å; G350-M352 VanDerWaalsContact C-N 3.32Å; G350-M352 PolarHBondContact O-N 3.37Å; G350-V353 PolarHBondContact O-N 3.35Å; G350-Q354 PolarHBondContact O-N 3.15Å
351D73.6Confident71.2Confident29 Ų2963.2 Ų63.216%0.15534%0.335CS..Hα-helixtrans-64.6-37.7179.7-30.6-46.8000111.9R82 R86 Y127 P349 V353 Q354 D355R82-D351 VanDerWaalsContact CZ-CG 3.42Å; R82-D351 IonicContact CZ-OD1 2.99Å; R82-D351 IonicContact CZ-OD2 2.97Å; R82-D351 IonicContact NE-OD2 2.77Å; R82-D351 IonicContact NH1-OD1 3.5Å; R82-D351 PolarHBondContact NH1-OD1 3.27Å; R82-D351 IonicContact NH1-OD2 2.83Å; R82-D351 PolarHBondContact NH1-OD2 3.07Å; R82-D351 IonicContact NH2-OD1 3.55Å; R82-D351 PolarHBondContact NH2-OD1 3.46Å; R82-D351 IonicContact NH2-OD2 2.86Å; R82-D351 PolarHBondContact NH2-OD2 3.3Å; R86-D351 IonicContact CZ-OD2 3.3Å; R86-D351 VanDerWaalsContact CZ-OD2 3.3Å; R86-D351 IonicContact NH1-OD2 2.93Å; R86-D351 PolarHBondContact NH1-OD2 2.79Å; R86-D351 IonicContact NH2-OD2 2.73Å; R86-D351 PolarHBondContact NH2-OD2 3.12Å; Y127-D351 PolarHBondContact OH-O 3.47Å; P349-D351 PolarHBondContact O-N 2.9Å; P349-D351 VanDerWaalsContact O-N 3.1Å; D351-V353 VanDerWaalsContact C-N 3.3Å; D351-V353 PolarHBondContact O-N 3.21Å; D351-Q354 PolarHBondContact O-N 3.05Å; D351-D355 WeakPolarHBondContact O-CB 3.3Å; D351-D355 PolarHBondContact O-N 3.43Å
352M76.1Confident70.6Confident41 Ų4165.9 Ų65.920%0.20235%0.352CS..Hα-helixtrans-63.6-40.3178.1-173.7-179.266.200111.1F124 Y127 L181 C184 P349 G350 A356F124-M352 HydrophobicContact CD2-CE 4.44Å; F124-M352 HydrophobicContact CD2-SD 4.01Å; Y127-M352 HydrophobicContact CD1-CB 3.97Å; Y127-M352 HydrophobicContact CD1-CG 3.82Å; Y127-M352 HydrophobicContact CD1-SD 4.07Å; Y127-M352 HydrophobicContact CD2-CG 4.1Å; Y127-M352 HydrophobicContact CE1-CB 3.52Å; Y127-M352 HydrophobicContact CE1-CG 3.81Å; Y127-M352 HydrophobicContact CE2-CB 4.38Å; Y127-M352 HydrophobicContact CE2-CG 4.08Å; Y127-M352 HydrophobicContact CG-CG 3.98Å; Y127-M352 HydrophobicContact CG-SD 4.2Å; Y127-M352 VanDerWaalsContact CZ-CA 3.5Å; Y127-M352 VanDerWaalsContact OH-CA 3.32Å; Y127-M352 WeakPolarHBondContact OH-CA 3.44Å; Y127-M352 PolarHBondContact OH-N 3.27Å; L181-M352 HydrophobicContact CD2-CG 4.11Å; C184-M352 HydrophobicContact CB-SD 4.1Å; P349-M352 WeakPolarHBondContact O-CB 3.24Å; P349-M352 PolarHBondContact O-N 2.75Å; G350-M352 VanDerWaalsContact C-N 3.32Å; G350-M352 PolarHBondContact O-N 3.37Å; M352-A356 VanDerWaalsContact O-CB 3.32Å; M352-A356 WeakPolarHBondContact O-CB 3.47Å; M352-A356 PolarHBondContact O-N 3.44Å
353V75.6Confident69.9Low79 Ų7968.4 Ų68.448%0.47937%0.372SS..Hα-helixtrans-68.7-42.1177.4-1800000110.4P349 G350 D351 A356 I357P349-V353 PolarHBondContact O-N 3.13Å; G350-V353 PolarHBondContact O-N 3.35Å; D351-V353 VanDerWaalsContact C-N 3.3Å; D351-V353 PolarHBondContact O-N 3.21Å; V353-A356 PolarHBondContact O-N 2.99Å; V353-I357 HydrophobicContact CG1-CD1 3.97Å; V353-I357 VanDerWaalsContact O-CG1 3.29Å; V353-I357 WeakPolarHBondContact O-CG1 3.45Å; V353-I357 PolarHBondContact O-N 2.98Å
354Q74.3Confident68.7Low139 Ų13969.2 Ų69.265%0.6537%0.372SS*.Hα-helixtrans-63.3-42.8176.7-172.3171.7-5.800111.7G350 D351 I357 H358G350-Q354 PolarHBondContact O-N 3.15Å; D351-Q354 PolarHBondContact O-N 3.05Å; Q354-I357 PolarHBondContact O-N 3.46Å; Q354-H358 WeakPolarHBondContact O-CB 3.28Å; Q354-H358 PolarHBondContact O-N 3.48Å
355D71.3Confident67.7Low31 Ų3167.3 Ų67.317%0.16637%0.366CS..Hα-helixtrans-65.8-37.3174.8-91.7-12.6000112.6Y127 K177 D351 H358 N359Y127-D355 HydrophobicContact CE2-CB 4.29Å; Y127-D355 PolarHBondContact OH-OD2 3.23Å; K177-D355 WeakPolarHBondContact CE-OD1 3.33Å; K177-D355 WeakPolarHBondContact CE-OD2 3.45Å; K177-D355 IonicContact NZ-OD1 3.78Å; K177-D355 PolarHBondContact NZ-OD1 2.9Å; K177-D355 IonicContact NZ-OD2 2.61Å; K177-D355 PolarHBondContact NZ-OD2 3.49Å; D351-D355 WeakPolarHBondContact O-CB 3.3Å; D351-D355 PolarHBondContact O-N 3.43Å; D355-H358 PolarHBondContact O-N 2.73Å; D355-N359 WeakPolarHBondContact O-CB 3.42Å; D355-N359 PolarHBondContact O-N 3.34Å
356A71Confident66.7Low31 Ų3167.7 Ų67.726%0.25637%0.368SS..Hα-helixtrans-62.6-48.3172.800000111.3L181 M352 V353 H358 N359 F360L181-A356 HydrophobicContact CD2-CB 4.25Å; M352-A356 VanDerWaalsContact O-CB 3.32Å; M352-A356 WeakPolarHBondContact O-CB 3.47Å; M352-A356 PolarHBondContact O-N 3.44Å; V353-A356 PolarHBondContact O-N 2.99Å; A356-H358 VanDerWaalsContact C-N 3.33Å; A356-H358 PolarHBondContact O-N 3.32Å; A356-N359 PolarHBondContact O-N 3.46Å; A356-F360 WeakPolarHBondContact O-CB 3.31Å; A356-F360 VanDerWaalsContact O-CD2 3.31Å; A356-F360 WeakPolarHBondContact O-CD2 3.08Å; A356-F360 PolarHBondContact O-N 2.87Å
357I75.9Confident65.9Low110 Ų11075.4 Ų75.456%0.56440%0.398SS*.Hα-helixtrans-61.1-45.8176.7-67.4165.4000109.7V353 Q354 N359 S361V353-I357 HydrophobicContact CG1-CD1 3.97Å; V353-I357 VanDerWaalsContact O-CG1 3.29Å; V353-I357 WeakPolarHBondContact O-CG1 3.45Å; V353-I357 PolarHBondContact O-N 2.98Å; Q354-I357 PolarHBondContact O-N 3.46Å; I357-N359 PolarHBondContact O-N 3.41Å; I357-S361 WeakPolarHBondContact O-CA 3.38Å; I357-S361 WeakPolarHBondContact O-CB 3.49Å; I357-S361 PolarHBondContact O-N 3.41Å; I357-S361 PolarHBondContact O-OG 3.07Å
358H71.9Confident64.7Low61 Ų6173.9 Ų73.928%0.28239%0.392SS..Hα-helixtrans-59.4-47.9-180-178.7-92.4000112.5Q354 D355 A356 S361 Y364Q354-H358 WeakPolarHBondContact O-CB 3.28Å; Q354-H358 PolarHBondContact O-N 3.48Å; D355-H358 PolarHBondContact O-N 2.73Å; A356-H358 VanDerWaalsContact C-N 3.33Å; A356-H358 PolarHBondContact O-N 3.32Å; H358-S361 PolarHBondContact O-OG 3.24Å; H358-Y364 AromaticContact CD2-CE2 3.74Å; H358-Y364 AromaticContact CE1-CD2 3.97Å; H358-Y364 AromaticContact CE1-CE2 3.41Å; H358-Y364 VanDerWaalsContact CE1-CE2 3.41Å; H358-Y364 WeakPolarHBondContact CE1-CE2 3.23Å; H358-Y364 AromaticContact CE1-CZ 3.83Å; H358-Y364 AromaticContact NE2-CD2 3.65Å; H358-Y364 AromaticContact NE2-CE2 2.96Å; H358-Y364 WeakPolarHBondContact NE2-CE2 3.4Å; H358-Y364 AromaticContact NE2-CZ 3.71Å
359N66.3Low63.4Low13 Ų1375.6 Ų75.67%0.0740%0.398CS..Hα-helixtrans-83.1-20.2-173.7-75.2-11.1000115.6K177 Q178 L181 D355 A356 I357K177-N359 WeakPolarHBondContact CB-ND2 3.42Å; K177-N359 WeakPolarHBondContact CD-ND2 3.29Å; K177-N359 WeakPolarHBondContact CE-ND2 3.49Å; K177-N359 WeakPolarHBondContact CG-ND2 3.22Å; Q178-N359 HydrophobicContact CG-CB 4.23Å; Q178-N359 PolarHBondContact NE2-O 2.85Å; L181-N359 HydrophobicContact CD1-CB 4.14Å; D355-N359 WeakPolarHBondContact O-CB 3.42Å; D355-N359 PolarHBondContact O-N 3.34Å; A356-N359 PolarHBondContact O-N 3.46Å; I357-N359 PolarHBondContact O-N 3.41Å
360F72.6Confident62Low114 Ų11478 Ų7850%0.540%0.404SS..Hα-helixtrans-106.5-7.8175.7-67.1-73.2000113.2Q178 L181 A356Q178-F360 HydrophobicContact CB-CE1 4.47Å; Q178-F360 HydrophobicContact CB-CZ 4.24Å; Q178-F360 HydrophobicContact CG-CE1 4.31Å; Q178-F360 HydrophobicContact CG-CZ 4.32Å; L181-F360 HydrophobicContact CB-CE2 3.77Å; L181-F360 HydrophobicContact CB-CZ 4.4Å; L181-F360 HydrophobicContact CD1-CE2 4.3Å; A356-F360 WeakPolarHBondContact O-CB 3.31Å; A356-F360 VanDerWaalsContact O-CD2 3.31Å; A356-F360 WeakPolarHBondContact O-CD2 3.08Å; A356-F360 PolarHBondContact O-N 2.87Å
361S65.1Low60.5Low38 Ų3879.6 Ų79.627%0.26641%0.41SS..  trans-70.6133.5178.364.80000112.3I357 H358 A363I357-S361 WeakPolarHBondContact O-CA 3.38Å; I357-S361 WeakPolarHBondContact O-CB 3.49Å; I357-S361 PolarHBondContact O-N 3.41Å; I357-S361 PolarHBondContact O-OG 3.07Å; H358-S361 PolarHBondContact O-OG 3.24Å; S361-A363 PolarHBondContact O-N 3.22Å
362P51.4Low59Low104 Ų10482.5 Ų82.568%0.67543%0.429SS*.THydrogen-bonded Turntrans-63.5-23.4174.9-21.231.2000114Y364 Q365P362-Y364 PolarHBondContact O-N 2.87Å; P362-Q365 PolarHBondContact O-N 3.46Å
363A50.8Low57.1Low54 Ų5487.5 Ų87.545%0.44645%0.452SS..THydrogen-bonded Turntrans-64.3-22.9-17600000113.4S361 Q365 Q366S361-A363 PolarHBondContact O-N 3.22Å; A363-Q365 VanDerWaalsContact C-N 3.29Å; A363-Q365 PolarHBondContact O-N 3.23Å; A363-Q366 WeakPolarHBondContact O-CB 3.47Å; A363-Q366 PolarHBondContact O-N 2.99Å
364Y48.4Very low55.5Low71 Ų7191.9 Ų91.928%0.27847%0.467SS..Hα-helixtrans-69.8-26.9178.9-146.1-82.6000113.4R174 H358 P362 Q366 Y367 T368R174-Y364 VanDerWaalsContact NH2-CD1 3.33Å; H358-Y364 AromaticContact CD2-CE2 3.74Å; H358-Y364 AromaticContact CE1-CD2 3.97Å; H358-Y364 AromaticContact CE1-CE2 3.41Å; H358-Y364 VanDerWaalsContact CE1-CE2 3.41Å; H358-Y364 WeakPolarHBondContact CE1-CE2 3.23Å; H358-Y364 AromaticContact CE1-CZ 3.83Å; H358-Y364 AromaticContact NE2-CD2 3.65Å; H358-Y364 AromaticContact NE2-CE2 2.96Å; H358-Y364 WeakPolarHBondContact NE2-CE2 3.4Å; H358-Y364 AromaticContact NE2-CZ 3.71Å; P362-Y364 PolarHBondContact O-N 2.87Å; Y364-Q366 PolarHBondContact O-N 3.4Å; Y364-Q366 VanDerWaalsContact O-N 3.15Å; Y364-Y367 PolarHBondContact O-N 3.35Å; Y364-Y367 VanDerWaalsContact O-N 3.14Å; Y364-T368 HydrophobicContact CE1-CG2 4.41Å; Y364-T368 PolarHBondContact O-N 3.18Å; Y364-T368 PolarHBondContact O-OG1 3.32Å; Y364-T368 VanDerWaalsContact O-OG1 3.06Å
365Q51.1Low54Low126 Ų12691.3 Ų91.359%0.58947%0.473SS*.Hα-helixtrans-58-31.6177-66.5-176.6-8.400111.1P362 A363 T368 Q369P362-Q365 PolarHBondContact O-N 3.46Å; A363-Q365 VanDerWaalsContact C-N 3.29Å; A363-Q365 PolarHBondContact O-N 3.23Å; Q365-T368 PolarHBondContact O-OG1 3.11Å; Q365-Q369 WeakPolarHBondContact O-CB 3.37Å; Q365-Q369 WeakPolarHBondContact O-CG 3.15Å; Q365-Q369 PolarHBondContact O-N 3.19Å
366Q46.8Very low52.2Low126 Ų12693.8 Ų93.859%0.58949%0.493SS*.Hα-helixtrans-69.8-38.8179.1-64.3176.3-31.900112.5A363 Y364 Q369 Q370A363-Q366 WeakPolarHBondContact O-CB 3.47Å; A363-Q366 PolarHBondContact O-N 2.99Å; Y364-Q366 PolarHBondContact O-N 3.4Å; Y364-Q366 VanDerWaalsContact O-N 3.15Å; Q366-Q369 PolarHBondContact O-N 3.48Å; Q366-Q370 WeakPolarHBondContact O-CB 3.25Å; Q366-Q370 VanDerWaalsContact O-CG 3.32Å; Q366-Q370 WeakPolarHBondContact O-CG 3.4Å; Q366-Q370 PolarHBondContact O-N 3.14Å
367Y48.3Very low50.3Low161 Ų161100.7 Ų100.763%0.63152%0.519SS*.Hα-helixtrans-68.4-41.2176.3-79.9-81.4000112.7Y364 S371Y364-Y367 PolarHBondContact O-N 3.35Å; Y364-Y367 VanDerWaalsContact O-N 3.14Å; Y367-S371 PolarHBondContact O-N 3.21Å; Y367-S371 PolarHBondContact O-OG 3.06Å
368T47.8Very low48.3Very low44 Ų44100.7 Ų100.727%0.2753%0.527SS..Hα-helixtrans-69.6-31.5174.728.90000113.2Y364 Q365 S371 T372Y364-T368 HydrophobicContact CE1-CG2 4.41Å; Y364-T368 PolarHBondContact O-N 3.18Å; Y364-T368 PolarHBondContact O-OG1 3.32Å; Y364-T368 VanDerWaalsContact O-OG1 3.06Å; Q365-T368 PolarHBondContact O-OG1 3.11Å; T368-S371 WeakPolarHBondContact CA-OG 3.27Å; T368-S371 PolarHBondContact O-OG 3.18Å; T368-T372 WeakPolarHBondContact O-CB 3.49Å; T368-T372 PolarHBondContact O-N 2.92Å; T368-T372 VanDerWaalsContact O-N 3.12Å; T368-T372 PolarHBondContact O-OG1 3.25Å
369Q48Very low46.5Very low124 Ų124103.7 Ų103.758%0.57955%0.554SS**Hα-helixtrans-74.2-37.3175.4-74.717513.800112.2Q365 Q366 T372 Q373Q365-Q369 WeakPolarHBondContact O-CB 3.37Å; Q365-Q369 WeakPolarHBondContact O-CG 3.15Å; Q365-Q369 PolarHBondContact O-N 3.19Å; Q366-Q369 PolarHBondContact O-N 3.48Å; Q369-T372 PolarHBondContact O-N 3.3Å; Q369-Q373 PolarHBondContact O-N 2.93Å
370Q44.3Very low44.9Very low115 Ų115109.2 Ų109.254%0.53759%0.589SS.*Hα-helixtrans-66.6-45.1174.8-78.1173.9-15.100112.2Q366 T372 Q373 E374Q366-Q370 WeakPolarHBondContact O-CB 3.25Å; Q366-Q370 VanDerWaalsContact O-CG 3.32Å; Q366-Q370 WeakPolarHBondContact O-CG 3.4Å; Q366-Q370 PolarHBondContact O-N 3.14Å; Q370-T372 VanDerWaalsContact C-N 3.3Å; Q370-T372 PolarHBondContact O-N 2.92Å; Q370-Q373 PolarHBondContact O-N 3.4Å; Q370-Q373 VanDerWaalsContact O-N 3.15Å; Q370-E374 PolarHBondContact O-N 3.33Å
371S39.6Very low43.1Very low60 Ų60111.8 Ų111.842%0.4261%0.608SS.*Hα-helixtrans-67-28.7175.744.30000113.2Y367 T368 V375Y367-S371 PolarHBondContact O-N 3.21Å; Y367-S371 PolarHBondContact O-OG 3.06Å; T368-S371 WeakPolarHBondContact CA-OG 3.27Å; T368-S371 PolarHBondContact O-OG 3.18Å; S371-V375 VanDerWaalsContact O-CG2 3.3Å; S371-V375 WeakPolarHBondContact O-CG2 3.31Å
372T42Very low41.4Very low90 Ų90113.2 Ų113.255%0.55263%0.628SS**Hα-helixtrans-74.3-33.7171.7-53.50000111.8T368 Q369 Q370 S376T368-T372 WeakPolarHBondContact O-CB 3.49Å; T368-T372 PolarHBondContact O-N 2.92Å; T368-T372 VanDerWaalsContact O-N 3.12Å; T368-T372 PolarHBondContact O-OG1 3.25Å; Q369-T372 PolarHBondContact O-N 3.3Å; Q370-T372 VanDerWaalsContact C-N 3.3Å; Q370-T372 PolarHBondContact O-N 2.92Å; T372-S376 PolarHBondContact O-N 3.36Å; T372-S376 PolarHBondContact O-OG 3.26Å
373Q37.2Very low40.4Very low147 Ų147118.8 Ų118.869%0.68764%0.642SS**Hα-helixtrans-71.1-36.7175.5-92.3-178.6-14.500113.3Q369 Q370 V375 S376Q369-Q373 PolarHBondContact O-N 2.93Å; Q370-Q373 PolarHBondContact O-N 3.4Å; Q370-Q373 VanDerWaalsContact O-N 3.15Å; Q373-V375 VanDerWaalsContact C-N 3.29Å; Q373-V375 PolarHBondContact O-N 3.23Å; Q373-S376 PolarHBondContact O-N 3.17Å
374E41.2Very low39.8Very low170 Ų170123.2 Ų123.279%0.79466%0.663SS**Hα-helixtrans-66.5-29.5176.1-74.6-168.8151.400112.9Q370 S376Q370-E374 PolarHBondContact O-N 3.33Å; E374-S376 VanDerWaalsContact C-N 3.32Å
375V42.9Very low38.8Very low128 Ų128124.4 Ų124.478%0.77669%0.688SS**THydrogen-bonded Turntrans-81.3-11.7177.9179.10000112.6S371 Q373S371-V375 VanDerWaalsContact O-CG2 3.3Å; S371-V375 WeakPolarHBondContact O-CG2 3.31Å; Q373-V375 VanDerWaalsContact C-N 3.29Å; Q373-V375 PolarHBondContact O-N 3.23Å
376S33.3Very low37.9Very low83 Ų83125.2 Ų125.258%0.5870%0.702SS**THydrogen-bonded Turntrans-96.93.8-172.7-55.80000115.6T372 Q373 E374 P378T372-S376 PolarHBondContact O-N 3.36Å; T372-S376 PolarHBondContact O-OG 3.26Å; Q373-S376 PolarHBondContact O-N 3.17Å; E374-S376 VanDerWaalsContact C-N 3.32Å; S376-P378 VanDerWaalsContact O-CD 3.26Å; S376-P378 WeakPolarHBondContact O-CD 3.13Å
377Q31.4Very low36.9Very low175 Ų175123.2 Ų123.282%0.81871%0.714SS**  trans-83.1114.2173.8-78.2-166.35.100111.1S379Q377-S379 PolarHBondContact O-N 3.46Å
378P32.9Very low35.9Very low111 Ų111122.9 Ų122.972%0.72172%0.723SS**  trans-76.9116.3167.62.816.7000108S376 T380S376-P378 VanDerWaalsContact O-CD 3.26Å; S376-P378 WeakPolarHBondContact O-CD 3.13Å; P378-T380 PolarHBondContact O-N 3.38Å
379S35.9Very low34.9Very low123 Ų123129.6 Ų129.686%0.8675%0.749SS**  trans-60.1108.3166179.90000109.1Q377Q377-S379 PolarHBondContact O-N 3.46Å
380T31.7Very low33.9Very low129 Ų129129 Ų12979%0.79176%0.758SS**  trans-131.8109.9164.3-24.30000108.7P378P378-T380 PolarHBondContact O-N 3.38Å
381N34.3Very low33Very low168 Ų168128.3 Ų128.390%0.89877%0.767SS**  trans-68.8138.3-179.1-125.1-8.7000111.4
382G30.8Very low32.5Very low68 Ų68136.8 Ų136.870%0.70179%0.789SS**  trans150.4110.3154.200000119.3
383K29.3Very low31.9Very low221 Ų221142.5 Ų142.596%0.96181%0.807SS**  trans88.3133.5149.7-67.4-177.3176.3177.80120.9
384V38.2Very low31.5Very low147 Ų147140.3 Ų140.389%0.89181%0.807SS**  trans-72.7133.5176.4177.20000111.4
385A28.3Very low31Very low96 Ų96139.6 Ų139.679%0.79381%0.809SS**  trans-161.7138.6148.200000112
386T31.1Very low30.4Very low144 Ų144142.4 Ų142.488%0.88381%0.811SS**  trans-59.2145.7178.944.90000115.7
387G27Very low30.5Very low83 Ų83145.5 Ų145.586%0.85682%0.819SS**  trans177.1134.116600000113.5
388N26.1Very low30.5Very low154 Ų154144.3 Ų144.382%0.82482%0.816SS**  trans-93.9164.1-158.3-149.62.1000113.8
389K28.4Very low30.4Very low185 Ų185146.1 Ų146.180%0.80482%0.818SS**  trans84.7107.3155-75.7-179.1176.4178.30121.6
390S25Very low30.2Very low111 Ų111147.4 Ų147.478%0.77681%0.814SS**  111.9114.2107.2-164.90000118.6
391S27.2Very low30.2Very low102 Ų102147 Ų14771%0.71381%0.812SS**  trans69.3106.9139.9-169.20000118.1
392R28.2Very low30.3Very low238 Ų238143.3 Ų143.390%0.89880%0.799SS**  -171.713381.7-134165.9177.1162.9-3.6111.8
393K28.9Very low30.8Very low210 Ų210147.1 Ų147.191%0.91380%0.803SS**  trans-8.1131.9164-101.9172169.8-179.60119.5
394S30.2Very low31.2Very low100 Ų100144.7 Ų144.770%0.69980%0.801SS**  trans-53.2170.7161.5-47.20000116.4
395D29.9Very low31.4Very low156 Ų156146.4 Ų146.483%0.83480%0.799SS**  trans104.6116.5153-51.3-27.4000113.1
396K30.4Very low31.8Very low186 Ų186155.6 Ų155.681%0.80982%0.821SS**  cis-157.9120.341.7-133169.8-176.9178.70110.2
397I35.7Very low31.8Very low149 Ų149156.2 Ų156.276%0.76482%0.818SS**  trans-78.2125.8159.7-69166.7000106.3L399I397-L399 HydrophobicContact CG2-CB 4.45Å; I397-L399 HydrophobicContact CG2-CD1 3.84Å; I397-L399 HydrophobicContact CG2-CG 4.01Å
398M30.3Very low32Very low150 Ų150160 Ų16074%0.73982%0.816SS**  trans-12882.8160.1-159.7-176.7-67.500107.2I400M398-I400 HydrophobicContact CG-CG1 4.47Å; M398-I400 PolarHBondContact O-N 3.44Å
399L32.5Very low32.4Very low148 Ų148160.3 Ų160.378%0.77582%0.816SS**  trans-62.5117.6155.2-80.5152.9000106.6I397I397-L399 HydrophobicContact CG2-CB 4.45Å; I397-L399 HydrophobicContact CG2-CD1 3.84Å; I397-L399 HydrophobicContact CG2-CG 4.01Å
400I31.8Very low32.6Very low151 Ų151158.9 Ų158.977%0.77482%0.817SS**  trans-97.8107.2152.8-67.3-178.7000105.6M398M398-I400 HydrophobicContact CG-CG1 4.47Å; M398-I400 PolarHBondContact O-N 3.44Å
401T31.7Very low33.1Very low120 Ų120161.9 Ų161.974%0.73682%0.819SS**  trans-65.9138.8174.4173.20000110
402S36Very low33.5Very low90 Ų90165.9 Ų165.963%0.62983%0.826SS**  trans-62160.6157.9-44.80000110.2
403D39.8Very low33.9Very low148 Ų148160.7 Ų160.779%0.79182%0.821SS**  trans84.4110.7162-50.2-21.1000117.3
404D39.1Very low34.2Very low170 Ų170156.9 Ų156.991%0.90981%0.814SS**  -157125.4120.5-92.5-31000109.9
405E40.9Very low34.6Very low183 Ų183161.7 Ų161.786%0.85582%0.824SS**  trans-59.8143.9169.8-66.1169.3114.100111.7
406F36.8Very low35Very low289 Ų289162.2 Ų162.2100%1.26882%0.823SS**  -168.50128-100-68.4000111

Retrieved 406 of 406 residues in 1142.3 ms (Link to these results)