A0A077Z2A7_TRITR Loading...

Vacuole membrane protein transmembrane protein

AlphaFold DB , UniProt , Accession A0A077Z2A7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 483 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
1M48.5Very low47.5Very low162 Ų162122.6 Ų122.680%0.79861%0.612SS**  0-40.60-76.7-178.7163.300113.1
2T48Very low46.5Very low100 Ų100125.8 Ų125.861%0.61363%0.633SS**THydrogen-bonded Turntrans-85.3-20.2-173.243.10000116.6
3R50.9Low45.2Very low215 Ų215133.4 Ų133.481%0.81165%0.649SS**THydrogen-bonded Turntrans-70.6-47.2-177.4-98.5-179.6170.8146.2-2.3112.7C5 S6R3-C5 PolarHBondContact O-N 2.89Å; R3-S6 PolarHBondContact O-N 3.4Å
4D57.3Low43.9Very low76 Ų76139.1 Ų139.141%0.40666%0.661SS.*G310 helixtrans-67.4-38.7-172-59.3-17.7000113.4S6D4-S6 VanDerWaalsContact C-N 3.26Å; D4-S6 PolarHBondContact O-N 3.34Å
5C58.3Low42.9Very low14 Ų14139.1 Ų139.110%0.09567%0.673CS.*G310 helixtrans-77.41.1-178.3-46.20000114.8R3 C86 K93R3-C5 PolarHBondContact O-N 2.89Å; C5-C86 HydrophobicContact CB-CB 3.98Å; C5-C86 WeakPolarHBondContact CB-SG 3.35Å; C5-C86 VanDerWaalsContact SG-CA 3.54Å; C5-C86 WeakPolarHBondContact SG-CB 3.37Å; C5-C86 CovalentContact SG-SG 2.06Å; C5-C86 PolarHBondContact SG-SG 3.31Å; C5-K93 PolarHBondContact O-NZ 2.94Å
6S52.6Low41.9Very low58 Ų58135.8 Ų135.841%0.40667%0.668SS.*G310 helixtrans-108.9-8.4-169.7-82.10000117.5R3 D4 D8R3-S6 PolarHBondContact O-N 3.4Å; D4-S6 VanDerWaalsContact C-N 3.26Å; D4-S6 PolarHBondContact O-N 3.34Å; S6-D8 PolarHBondContact O-N 3.43Å
7D47.8Very low41Very low145 Ų145140.1 Ų140.178%0.77568%0.682SS**  trans-91.211.4-170.8-85.8-26.1000116.5K9D7-K9 PolarHBondContact O-N 3.43Å
8D47.6Very low40.3Very low101 Ų101135.7 Ų135.754%0.5468%0.68SS.*  trans-83.137.6176.3-144.7-1.9000113.8S6 K10 S11S6-D8 PolarHBondContact O-N 3.43Å; D8-K10 VanDerWaalsContact C-N 3.3Å; D8-K10 PolarHBondContact O-N 3.48Å; D8-S11 PolarHBondContact OD1-OG 3.34Å
9K38.8Very low39.5Very low198 Ų198137.7 Ų137.786%0.86169%0.692SS**  trans-83.86.8-177.8-101.6-174.4179.8178.30114.5D7D7-K9 PolarHBondContact O-N 3.43Å
10K35.2Very low39.1Very low200 Ų200136.9 Ų136.987%0.8770%0.696SS**SBendtrans-127.2-4.1-174.9-111.6-179.3179.5-178.50116.4D8D8-K10 VanDerWaalsContact C-N 3.3Å; D8-K10 PolarHBondContact O-N 3.48Å
11S37.3Very low38.7Very low80 Ų80134.8 Ų134.856%0.55969%0.694SS**SBendtrans-87.5-8.8-177.458.70000115D8 R13D8-S11 PolarHBondContact OD1-OG 3.34Å; S11-R13 PolarHBondContact O-N 3.46Å
12D35.3Very low37.7Very low161 Ų161134.3 Ų134.386%0.86170%0.695SS**SBendtrans-98.226.2-173.3-1431.6000114.6
13R29.8Very low37Very low224 Ų224139.2 Ų139.285%0.84571%0.711SS**SBendtrans-136.9107.5170.4-71.3-170.8-157.2-173.76.7110.6S11S11-R13 PolarHBondContact O-N 3.46Å
14R27.5Very low36Very low214 Ų214138 Ų13881%0.80871%0.714SS**  trans65.189.7170.8-78.4-179-83.5-157.7-5.2114.6S16R14-S16 WeakPolarHBondContact CD-OG 3.37Å; R14-S16 PolarHBondContact O-N 2.99Å
15V28.6Very low34.8Very low139 Ų139143.8 Ų143.884%0.84274%0.739SS**  trans-6875.1132.2-178.10000106
16S27.3Very low33.5Very low85 Ų85150.1 Ų150.159%0.59477%0.767SS**  trans-83.3110.5162.6-89.10000105.5R14 G18R14-S16 WeakPolarHBondContact CD-OG 3.37Å; R14-S16 PolarHBondContact O-N 2.99Å; S16-G18 PolarHBondContact O-N 3.42Å; S16-G18 VanDerWaalsContact O-N 3.09Å
17F26.5Very low32.4Very low209 Ų209155.9 Ų155.992%0.91779%0.793SS**  trans-42.7113.1162.3-89.4-104.3000109.5
18G28.2Very low31.5Very low61 Ų61153.4 Ų153.463%0.62978%0.784SS**  trans-141.8101.8168.100000106.1S16 P20S16-G18 PolarHBondContact O-N 3.42Å; S16-G18 VanDerWaalsContact O-N 3.09Å; G18-P20 WeakPolarHBondContact O-CD 3.34Å
19L24.3Very low30.7Very low175 Ų175154.6 Ų154.692%0.91680%0.8SS**  trans-52.1128.6169-80.2140.8000109.8
20P32.3Very low30.3Very low120 Ų120153.8 Ų153.878%0.77980%0.799SS**  trans-93.6115.5146.74.916.3000107.4G18G18-P20 WeakPolarHBondContact O-CD 3.34Å
21S30.3Very low30.1Very low94 Ų94148 Ų14866%0.65780%0.797SS**  trans-49.413816338.30000112.7
22D28.4Very low29.6Very low151 Ų151149.8 Ų149.881%0.80780%0.804SS**  trans53.191.7142.5-44.7-29.9000118.5
23E32.2Very low29.4Very low203 Ų203150.1 Ų150.195%0.94981%0.805SS**  trans-144.693.6137.8-71.5-166.4152.700108.1E25E23-E25 PolarHBondContact O-N 3.18Å
24E30.5Very low29.4Very low189 Ų189145.1 Ų145.188%0.88380%0.8SS**  trans-70.8110.8162.6-76.2175.1149.200108.2
25E32.2Very low29.7Very low199 Ų199141.6 Ų141.693%0.9380%0.802SS**  trans-90.395.2157.3-110.1-179.2171.800107.6E23 D27E23-E25 PolarHBondContact O-N 3.18Å; E25-D27 PolarHBondContact O-N 3.24Å
26E29.8Very low30Very low146 Ų146139.6 Ų139.668%0.68279%0.794SS**  trans-80.2100.7174.8-159.4-168.7168.200109.2T28E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 VanDerWaalsContact CD-OG1 3.23Å; E26-T28 HydrophobicContact CG-CG2 4Å; E26-T28 WeakPolarHBondContact CG-OG1 3.37Å; E26-T28 PolarHBondContact O-N 3.44Å; E26-T28 PolarHBondContact OE1-OG1 2.92Å
27D30.1Very low30.4Very low179 Ų179143.2 Ų143.296%0.95781%0.807SS**  trans-88.370.7165.5-101.2-19000109.1E25E25-D27 PolarHBondContact O-N 3.24Å
28T29.2Very low30.8Very low93 Ų93137.7 Ų137.757%0.57180%0.8SS**  trans-101.291.7166.642.10000109.7E26 E30E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 VanDerWaalsContact CD-OG1 3.23Å; E26-T28 HydrophobicContact CG-CG2 4Å; E26-T28 WeakPolarHBondContact CG-OG1 3.37Å; E26-T28 PolarHBondContact O-N 3.44Å; E26-T28 PolarHBondContact OE1-OG1 2.92Å; T28-E30 PolarHBondContact O-N 2.91Å
29S31.5Very low31.1Very low126 Ų126140.4 Ų140.488%0.88181%0.806SS**  trans-95.865.916268.30000110.4
30E30.3Very low31.6Very low181 Ų181136.2 Ų136.285%0.84680%0.797SS**  trans-99.289.1160.8-85.4-163.5135.800109.2T28 T32T28-E30 PolarHBondContact O-N 2.91Å; E30-T32 PolarHBondContact O-N 3.05Å
31G31.3Very low31.5Very low79 Ų79138 Ų13881%0.81480%0.8SS**  trans-89.286.5166.800000110.6L33G31-L33 PolarHBondContact O-N 3.17Å
32T26.6Very low31.7Very low118 Ų118139 Ų13972%0.72481%0.807SS**  trans-68.4112.3167-66.20000109.2E30 T34E30-T32 PolarHBondContact O-N 3.05Å; T32-T34 HydrophobicContact CG2-CG2 4.16Å
33L31.4Very low32Very low167 Ų167137 Ų13787%0.87480%0.804SS**  trans-126.799.4164.8-108157.9000108.7G31G31-L33 PolarHBondContact O-N 3.17Å
34T28.1Very low31.9Very low119 Ų119133.5 Ų133.573%0.7380%0.797SS**  trans-74115.2171.149.80000110T32T32-T34 HydrophobicContact CG2-CG2 4.16Å
35V34.1Very low31.9Very low141 Ų141130 Ų13086%0.85579%0.793SS**  trans-153.3124.2145-178.40000108.4
36S34.7Very low32Very low96 Ų96127.9 Ų127.967%0.67179%0.787SS**  trans-66.6161.8176.5-54.60000113.7
37D37.3Very low32.3Very low162 Ų162126.1 Ų126.187%0.86679%0.79SS**  trans92.3111.2158.8-52.1-30.6000118.4
38A34.3Very low32.6Very low93 Ų93127.1 Ų127.177%0.76979%0.786SS**  trans-72-172.9174.100000112.3
39P34.6Very low32.7Very low118 Ų118126 Ų12677%0.76679%0.793SS**  cis-139.8175.3-3.738.3-17.8000116.5
40A34Very low33.2Very low87 Ų87127.5 Ų127.572%0.71979%0.79SS**  trans71.3131.8145.800000122.2
41N31.1Very low33.7Very low157 Ų157127.9 Ų127.984%0.8479%0.789SS**  trans83.494.4157.3-62.4-15.1000119.1
42S35Very low34.4Very low115 Ų115129.7 Ų129.780%0.80479%0.786SS**  179.3117.1119.538.80000113.1
43S34.5Very low35.6Very low109 Ų109130.4 Ų130.476%0.76279%0.79SS**  trans28.4101.5145.155.80000121
44V28.4Very low37.1Very low129 Ų129125.6 Ų125.678%0.78277%0.769SS**  32.7111.3123.8-173.10000118.3I46V44-I46 HydrophobicContact CG1-CG1 4.46Å
45S32.1Very low39.1Very low117 Ų117122.9 Ų122.982%0.81876%0.755SS**  trans-13899.9132.460.90000109.3S47S45-S47 PolarHBondContact O-N 2.89Å
46I33.4Very low40.9Very low154 Ų154120.7 Ų120.779%0.7974%0.738SS**  trans-77.798.7173.3-67.1171.3000106.8V44 K48V44-I46 HydrophobicContact CG1-CG1 4.46Å; I46-K48 PolarHBondContact O-N 3.28Å
47S35.5Very low42.6Very low108 Ų108120 Ų12076%0.75573%0.726SS**PPolyproline II helixtrans-68.8122.5165.661.50000108.3S45 G49S45-S47 PolarHBondContact O-N 2.89Å; S47-G49 PolarHBondContact O-N 3.28Å
48K36.8Very low44.2Very low200 Ų200115.2 Ų115.287%0.8770%0.703SS**PPolyproline II helixtrans-57120.1176-76.6173.5175.2172.30109I46 I50I46-K48 PolarHBondContact O-N 3.28Å; K48-I50 PolarHBondContact O-N 2.91Å
49G32.4Very low46Very low70 Ų70115.1 Ų115.172%0.72269%0.689SS**PPolyproline II helixtrans-51.9124.2179.800000112.8S47 K51S47-G49 PolarHBondContact O-N 3.28Å; G49-K51 PolarHBondContact O-N 3.48Å
50I41Very low47.8Very low158 Ų158110.4 Ų110.481%0.8166%0.658SS**  trans-62.7112.4164.1-63.2169.7000105.9K48K48-I50 PolarHBondContact O-N 2.91Å
51K40.3Very low49.5Very low188 Ų188108.9 Ų108.982%0.81764%0.637SS**PPolyproline II helixtrans-62.2125.8169.8-72.5-178.3178.7-179.30107.1G49 V53G49-K51 PolarHBondContact O-N 3.48Å; K51-V53 PolarHBondContact O-N 3.34Å
52P47.2Very low51.4Low118 Ų118105.8 Ų105.877%0.76662%0.62SS**PPolyproline II helixtrans-58.3128.6178.522.6-31.1000108.9
53V51.4Low53.3Low133 Ų133103.9 Ų103.981%0.80660%0.599SS**PPolyproline II helixtrans-63.7123.5174.3178.10000106.7K51 S55K51-V53 PolarHBondContact O-N 3.34Å; V53-S55 PolarHBondContact O-N 2.94Å
54P62.6Low54.9Low65 Ų6599.3 Ų99.342%0.42257%0.565SS.*PPolyproline II helixtrans-59.4137.7-179.221.1-29.3000109.6T58P54-T58 HydrophobicContact CB-CG2 3.94Å
55S70.1Confident56.8Low63 Ų6396.8 Ų96.844%0.44154%0.544SS..PPolyproline II helixtrans-54153175.880.40000110.2V53 N57 T58 L59V53-S55 PolarHBondContact O-N 2.94Å; S55-N57 PolarHBondContact O-N 3.32Å; S55-N57 VanDerWaalsContact O-N 3.13Å; S55-T58 CarbonylContact O-C 3.5Å; S55-T58 WeakPolarHBondContact O-CA 3.3Å; S55-T58 WeakPolarHBondContact O-CB 3.22Å; S55-T58 PolarHBondContact O-N 3.26Å; S55-T58 PolarHBondContact OG-N 2.92Å; S55-T58 VanDerWaalsContact OG-N 3.14Å; S55-T58 PolarHBondContact OG-OG1 3.41Å; S55-L59 PolarHBondContact O-N 2.93Å
56L73Confident58.7Low95 Ų9591.8 Ų91.850%0.49751%0.511SS..Hα-helixtrans-55.9-34.9-179.2-169.473.3000112.1L59 N60 W466 M473L56-L59 PolarHBondContact O-N 3.07Å; L56-N60 PolarHBondContact O-N 3.5Å; L56-W466 HydrophobicContact CD1-CH2 3.74Å; L56-W466 HydrophobicContact CD1-CZ2 4.11Å; L56-W466 HydrophobicContact CD2-CH2 4.12Å; L56-W466 HydrophobicContact CD2-CZ2 3.7Å; L56-W466 HydrophobicContact CG-CH2 3.7Å; L56-W466 HydrophobicContact CG-CZ2 3.53Å; L56-M473 HydrophobicContact CD2-CE 4.35Å
57N70Confident60.3Low81 Ų8184.4 Ų84.443%0.43347%0.473SS..Hα-helixtrans-67.4-41.3174.5-65.4-19.4000111.8S55 L59 N60 L61S55-N57 PolarHBondContact O-N 3.32Å; S55-N57 VanDerWaalsContact O-N 3.13Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 3.25Å; N57-N60 PolarHBondContact O-N 3.49Å; N57-L61 WeakPolarHBondContact O-CB 3.36Å; N57-L61 PolarHBondContact O-N 3.47Å
58T70.7Confident62.3Low61 Ų6180.7 Ų80.737%0.37445%0.446SS..Hα-helixtrans-63.4-38.9174.6-500000111.4P54 S55 L61 L62P54-T58 HydrophobicContact CB-CG2 3.94Å; S55-T58 CarbonylContact O-C 3.5Å; S55-T58 WeakPolarHBondContact O-CA 3.3Å; S55-T58 WeakPolarHBondContact O-CB 3.22Å; S55-T58 PolarHBondContact O-N 3.26Å; S55-T58 PolarHBondContact OG-N 2.92Å; S55-T58 VanDerWaalsContact OG-N 3.14Å; S55-T58 PolarHBondContact OG-OG1 3.41Å; T58-L61 WeakPolarHBondContact O-CB 3.34Å; T58-L61 PolarHBondContact O-N 3.07Å; T58-L62 WeakPolarHBondContact O-CG 3.42Å; T58-L62 PolarHBondContact O-N 2.98Å
59L71.2Confident64.2Low91 Ų9174.3 Ų74.348%0.47642%0.42SS..Hα-helixtrans-66.8-43.4177.4-171.566.3000111.9S55 L56 N57 L61 L62 E63S55-L59 PolarHBondContact O-N 2.93Å; L56-L59 PolarHBondContact O-N 3.07Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 3.25Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.48Å; L59-L62 PolarHBondContact O-N 2.77Å; L59-E63 PolarHBondContact O-N 2.9Å
60N72.2Confident66.4Low20 Ų2078 Ų7811%0.10742%0.418CS..Hα-helixtrans-59.2-42.8173175.824.1000111.4L56 N57 L62 E63 R64 W466L56-N60 PolarHBondContact O-N 3.5Å; N57-N60 PolarHBondContact O-N 3.49Å; N60-L62 VanDerWaalsContact C-N 3.35Å; N60-L62 PolarHBondContact O-N 2.79Å; N60-E63 PolarHBondContact O-N 3.03Å; N60-R64 WeakPolarHBondContact O-CB 3.19Å; N60-R64 PolarHBondContact O-N 3.32Å; N60-W466 HydrophobicContact CB-CD2 3.76Å; N60-W466 HydrophobicContact CB-CE3 3.99Å; N60-W466 HydrophobicContact CB-CG 4.33Å; N60-W466 HydrophobicContact CB-CH2 4.12Å; N60-W466 HydrophobicContact CB-CZ2 3.91Å; N60-W466 HydrophobicContact CB-CZ3 4.15Å; N60-W466 VanDerWaalsContact CG-CG 3.45Å; N60-W466 PolarHBondContact ND2-NE1 3.22Å
61L70.4Confident68.2Low54 Ų5476.2 Ų76.228%0.28341%0.405SS..Hα-helixtrans-56.7-48.7175.1-167.786.3000111.3N57 T58 L59 E63 R64 Q65 E289N57-L61 WeakPolarHBondContact O-CB 3.36Å; N57-L61 PolarHBondContact O-N 3.47Å; T58-L61 WeakPolarHBondContact O-CB 3.34Å; T58-L61 PolarHBondContact O-N 3.07Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.48Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.11Å; L61-R64 WeakPolarHBondContact O-CB 3.21Å; L61-R64 PolarHBondContact O-N 3.4Å; L61-Q65 WeakPolarHBondContact O-CG 3.42Å; L61-Q65 PolarHBondContact O-N 3.47Å; L61-E289 HydrophobicContact CD1-CG 4.29Å
62L70.3Confident70.3Confident92 Ų9271.2 Ų71.248%0.48238%0.383SS..Hα-helixtrans-64.1-37.7178.8-69171.9000112.5T58 L59 N60 G66T58-L62 WeakPolarHBondContact O-CG 3.42Å; T58-L62 PolarHBondContact O-N 2.98Å; L59-L62 PolarHBondContact O-N 2.77Å; N60-L62 VanDerWaalsContact C-N 3.35Å; N60-L62 PolarHBondContact O-N 2.79Å; L62-G66 PolarHBondContact O-N 2.87Å
63E75.2Confident72.2Confident76 Ų7668.7 Ų68.736%0.35537%0.366SS..Hα-helixtrans-66.4-41.7175.2-163.6-178.817100111L59 N60 L61 G66 F67 H462L59-E63 PolarHBondContact O-N 2.9Å; N60-E63 PolarHBondContact O-N 3.03Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.11Å; E63-G66 VanDerWaalsContact O-CA 3.31Å; E63-G66 WeakPolarHBondContact O-CA 3.39Å; E63-G66 PolarHBondContact O-N 3.46Å; E63-F67 HydrophobicContact CG-CE2 4.23Å; E63-F67 WeakPolarHBondContact O-CD2 3.47Å; E63-F67 WeakPolarHBondContact O-CE2 3.47Å; E63-H462 IonicContact OE1-CE1 3.55Å; E63-H462 IonicContact OE2-CE1 2.56Å; E63-H462 IonicContact OE2-NE2 2.83Å
64R68.6Low73.9Confident13 Ų1370.9 Ų70.95%0.04937%0.365CS..Hα-helixtrans-60.3-45175.9-170.1165.5169.2-110.6-15.9111.8N60 L61 G66 F67 E289 Q459N60-R64 WeakPolarHBondContact O-CB 3.19Å; N60-R64 PolarHBondContact O-N 3.32Å; L61-R64 WeakPolarHBondContact O-CB 3.21Å; L61-R64 PolarHBondContact O-N 3.4Å; R64-G66 PolarHBondContact O-N 3.35Å; R64-G66 VanDerWaalsContact O-N 3.13Å; R64-F67 PolarHBondContact O-N 2.95Å; R64-E289 IonicContact CZ-OE2 2.66Å; R64-E289 VanDerWaalsContact NH1-CB 3.33Å; R64-E289 IonicContact NH1-OE2 3.83Å; R64-E289 PolarHBondContact NH1-OE2 3.28Å; R64-Q459 HydrophobicContact CG-CB 3.76Å; R64-Q459 HydrophobicContact CG-CG 3.75Å; R64-Q459 PolarHBondContact NE-O 3.26Å
65Q68.5Low75.1Confident75 Ų7572.4 Ų72.435%0.3536%0.363SS..THydrogen-bonded Turntrans-64.9-11.2172.3-69.1-178.8-6.200113.6L61 V68 E289L61-Q65 WeakPolarHBondContact O-CG 3.42Å; L61-Q65 PolarHBondContact O-N 3.47Å; Q65-V68 WeakPolarHBondContact O-CG2 3.31Å; Q65-E289 WeakPolarHBondContact CG-OE1 3.47Å; Q65-E289 PolarHBondContact NE2-OE1 3.1Å
66G71.4Confident75.9Confident12 Ų1269.4 Ų69.412%0.12434%0.342CS..THydrogen-bonded Turntrans-76.7-19.3169.800000113.9L62 E63 R64 V68L62-G66 PolarHBondContact O-N 2.87Å; E63-G66 VanDerWaalsContact O-CA 3.31Å; E63-G66 WeakPolarHBondContact O-CA 3.39Å; E63-G66 PolarHBondContact O-N 3.46Å; R64-G66 PolarHBondContact O-N 3.35Å; R64-G66 VanDerWaalsContact O-N 3.13Å; G66-V68 VanDerWaalsContact C-N 3.3Å; G66-V68 PolarHBondContact O-N 3.09Å; G66-V68 VanDerWaalsContact O-N 3.13Å
67F68.2Low76.8Confident0 Ų069.5 Ų69.50%034%0.342CS..  trans-87.968.7178.1-64.7-90.3000111E63 R64 R75 Y79 Q459 H462E63-F67 HydrophobicContact CG-CE2 4.23Å; E63-F67 WeakPolarHBondContact O-CD2 3.47Å; E63-F67 WeakPolarHBondContact O-CE2 3.47Å; R64-F67 PolarHBondContact O-N 2.95Å; F67-R75 HydrophobicContact CD1-CG 4.39Å; F67-R75 HydrophobicContact CE1-CG 3.87Å; F67-Y79 HydrophobicContact CD1-CD1 4.19Å; F67-Y79 HydrophobicContact CD1-CE1 4.49Å; F67-Y79 HydrophobicContact CD1-CG 4.34Å; F67-Y79 AromaticContact CE1-CD1 3.74Å; F67-Y79 HydrophobicContact CE1-CD1 3.74Å; F67-Y79 HydrophobicContact CE1-CD2 4.22Å; F67-Y79 AromaticContact CE1-CE1 3.62Å; F67-Y79 HydrophobicContact CE1-CE1 3.62Å; F67-Y79 HydrophobicContact CE1-CE2 4.07Å; F67-Y79 HydrophobicContact CE1-CG 4.07Å; F67-Y79 AromaticContact CE1-CZ 3.78Å; F67-Y79 HydrophobicContact CZ-CD1 4.2Å; F67-Y79 AromaticContact CZ-CE1 3.74Å; F67-Y79 HydrophobicContact CZ-CE1 3.74Å; F67-Q459 HydrophobicContact CB-CG 4.44Å; F67-H462 HydrophobicContact CD2-CB 4.31Å; F67-H462 HydrophobicContact CE2-CB 4.1Å; F67-H462 AromaticContact CE2-CD2 3.86Å; F67-H462 AromaticContact CE2-CE1 3.57Å; F67-H462 AromaticContact CE2-CG 3.5Å; F67-H462 VanDerWaalsContact CE2-CG 3.5Å; F67-H462 AromaticContact CE2-ND1 3.32Å; F67-H462 VanDerWaalsContact CE2-ND1 3.32Å; F67-H462 WeakPolarHBondContact CE2-ND1 3.46Å; F67-H462 AromaticContact CE2-NE2 3.87Å; F67-H462 AromaticContact CZ-CE1 3.98Å; F67-H462 AromaticContact CZ-ND1 3.53Å
68V76.6Confident77.8Confident30 Ų3070 Ų7018%0.18234%0.342CS..  trans-115.7139.5171.3-170.70000107.8Q65 G66 H70 K71 K72Q65-V68 WeakPolarHBondContact O-CG2 3.31Å; G66-V68 VanDerWaalsContact C-N 3.3Å; G66-V68 PolarHBondContact O-N 3.09Å; G66-V68 VanDerWaalsContact O-N 3.13Å; V68-H70 WeakPolarHBondContact CG1-ND1 3.5Å; V68-H70 PolarHBondContact O-N 3.47Å; V68-H70 VanDerWaalsContact O-N 3.08Å; V68-K71 PolarHBondContact O-N 2.84Å; V68-K72 PolarHBondContact O-N 2.98Å; V68-K72 VanDerWaalsContact O-N 3.11Å
69M77Confident78.8Confident66 Ų6668.6 Ų68.633%0.32533%0.33SS..THydrogen-bonded Turntrans-51.1-36.1-177.7-166-163.3-73.900112.3K71 P73 I451 V454 N455M69-K71 PolarHBondContact O-N 3.28Å; M69-P73 VanDerWaalsContact O-CA 3.31Å; M69-P73 WeakPolarHBondContact O-CA 3.45Å; M69-P73 WeakPolarHBondContact O-CB 3.32Å; M69-P73 WeakPolarHBondContact O-CD 3.39Å; M69-I451 HydrophobicContact CB-CG2 4.11Å; M69-I451 HydrophobicContact CE-CB 4.14Å; M69-I451 HydrophobicContact CE-CG1 3.67Å; M69-I451 HydrophobicContact CE-CG2 4.08Å; M69-I451 HydrophobicContact SD-CG1 4.04Å; M69-I451 HydrophobicContact SD-CG2 4.35Å; M69-V454 HydrophobicContact CE-CB 4.31Å; M69-V454 HydrophobicContact CE-CG1 4.23Å; M69-N455 PolarHBondContact N-OD1 3.01Å
70H77.8Confident79.7Confident147 Ų14764.6 Ų64.668%0.68131%0.309SS*.THydrogen-bonded Turntrans-71.1-25178.881.6-94.9000114.6V68V68-H70 WeakPolarHBondContact CG1-ND1 3.5Å; V68-H70 PolarHBondContact O-N 3.47Å; V68-H70 VanDerWaalsContact O-N 3.08Å
71K79.9Confident80.6Confident121 Ų12166.8 Ų66.853%0.52633%0.326SS..THydrogen-bonded Turntrans-90.4-45.6-179.6-62.5-175-179.5168.20111.9V68 M69V68-K71 PolarHBondContact O-N 2.84Å; M69-K71 PolarHBondContact O-N 3.28Å
72K83.7Confident81.7Confident83 Ų8364.7 Ų64.736%0.36132%0.316SS..  trans-140.566.7-171.5-63.2-178.6-177.8169.60111.3V68 F74 R75 T76V68-K72 PolarHBondContact O-N 2.98Å; V68-K72 VanDerWaalsContact O-N 3.11Å; K72-F74 PolarHBondContact O-N 3.46Å; K72-R75 HydrophobicContact CB-CB 4.16Å; K72-R75 PolarHBondContact O-N 2.79Å; K72-T76 WeakPolarHBondContact O-CB 3.27Å; K72-T76 PolarHBondContact O-N 3.11Å; K72-T76 PolarHBondContact O-OG1 3.28Å
73P87Confident82.7Confident65 Ų6560.3 Ų60.342%0.42229%0.293SS..Hα-helixtrans-56.1-50.7-16720.6-32.8000113.5M69 R75 T76 L77M69-P73 VanDerWaalsContact O-CA 3.31Å; M69-P73 WeakPolarHBondContact O-CA 3.45Å; M69-P73 WeakPolarHBondContact O-CB 3.32Å; M69-P73 WeakPolarHBondContact O-CD 3.39Å; P73-R75 PolarHBondContact O-N 3.11Å; P73-T76 PolarHBondContact O-N 2.9Å; P73-L77 WeakPolarHBondContact O-CB 3.48Å; P73-L77 PolarHBondContact O-N 3.21Å
74F88.5Confident83.4Confident179 Ų17959.8 Ų59.879%0.78530%0.295SS*.Hα-helixtrans-67.1-37.7-178.5-63.7-72.9000113.1K72 H78K72-F74 PolarHBondContact O-N 3.46Å; F74-H78 WeakPolarHBondContact O-CB 3.24Å; F74-H78 PolarHBondContact O-N 3.42Å
75R86.5Confident84.6Confident97 Ų9764.5 Ų64.537%0.36631%0.314SS..Hα-helixtrans-71.4-42.9179.1-165.1178177.6-173.5-11.9110.8F67 K72 P73 H78 Y79F67-R75 HydrophobicContact CD1-CG 4.39Å; F67-R75 HydrophobicContact CE1-CG 3.87Å; K72-R75 HydrophobicContact CB-CB 4.16Å; K72-R75 PolarHBondContact O-N 2.79Å; P73-R75 PolarHBondContact O-N 3.11Å; R75-H78 PolarHBondContact O-N 3.45Å; R75-Y79 HydrophobicContact CG-CD2 3.88Å; R75-Y79 HydrophobicContact CG-CE2 3.66Å; R75-Y79 PolarHBondContact NH2-OH 2.92Å; R75-Y79 VanDerWaalsContact NH2-OH 3.09Å; R75-Y79 WeakPolarHBondContact O-CB 3.26Å; R75-Y79 WeakPolarHBondContact O-CD2 3.34Å; R75-Y79 PolarHBondContact O-N 2.85Å
76T88.2Confident85.6Confident0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-60.6-46175.2-55.90000110.7K72 P73 H78 Y79 S80 V454 A458K72-T76 WeakPolarHBondContact O-CB 3.27Å; K72-T76 PolarHBondContact O-N 3.11Å; K72-T76 PolarHBondContact O-OG1 3.28Å; P73-T76 PolarHBondContact O-N 2.9Å; T76-H78 PolarHBondContact O-N 2.99Å; T76-Y79 PolarHBondContact O-N 2.7Å; T76-S80 WeakPolarHBondContact O-CB 3.44Å; T76-S80 PolarHBondContact O-N 2.81Å; T76-S80 PolarHBondContact O-OG 3.45Å; T76-V454 HydrophobicContact CG2-CG1 4.28Å; T76-A458 HydrophobicContact CG2-CB 3.51Å; T76-A458 VanDerWaalsContact O-CB 3.3Å; T76-A458 WeakPolarHBondContact O-CB 3.38Å
77L90.7Very high86.5Confident96 Ų9663.6 Ų63.650%0.50331%0.308SS..Hα-helixtrans-65-38.1178.5-171.966.3000113P73 S80 S81P73-L77 WeakPolarHBondContact O-CB 3.48Å; P73-L77 PolarHBondContact O-N 3.21Å; L77-S80 WeakPolarHBondContact CA-OG 3.23Å; L77-S80 PolarHBondContact O-OG 2.06Å; L77-S81 WeakPolarHBondContact O-CB 3.39Å; L77-S81 PolarHBondContact O-N 3.2Å; L77-S81 PolarHBondContact O-OG 2.72Å
78H92Very high87.5Confident91 Ų9168.7 Ų68.742%0.42133%0.334SS..Hα-helixtrans-63.8-48.1174.2176.9-85.4000111.2F74 R75 T76 S80 S81 C82F74-H78 WeakPolarHBondContact O-CB 3.24Å; F74-H78 PolarHBondContact O-N 3.42Å; R75-H78 PolarHBondContact O-N 3.45Å; T76-H78 PolarHBondContact O-N 2.99Å; H78-S80 PolarHBondContact O-N 3.21Å; H78-S81 PolarHBondContact O-N 3.22Å; H78-C82 PolarHBondContact CE1-SG 2.91Å; H78-C82 PolarHBondContact O-N 3.45Å; H78-C82 PolarHBondContact O-SG 3.28Å
79Y90.4Very high88.1Confident32 Ų3268.5 Ų68.513%0.12533%0.333CS..Hα-helixtrans-63.4-41.4179.9-84.4-126.4000111.6F67 R75 T76 C82 E83 Y461 H462 L465F67-Y79 HydrophobicContact CD1-CD1 4.19Å; F67-Y79 HydrophobicContact CD1-CE1 4.49Å; F67-Y79 HydrophobicContact CD1-CG 4.34Å; F67-Y79 AromaticContact CE1-CD1 3.74Å; F67-Y79 HydrophobicContact CE1-CD1 3.74Å; F67-Y79 HydrophobicContact CE1-CD2 4.22Å; F67-Y79 AromaticContact CE1-CE1 3.62Å; F67-Y79 HydrophobicContact CE1-CE1 3.62Å; F67-Y79 HydrophobicContact CE1-CE2 4.07Å; F67-Y79 HydrophobicContact CE1-CG 4.07Å; F67-Y79 AromaticContact CE1-CZ 3.78Å; F67-Y79 HydrophobicContact CZ-CD1 4.2Å; F67-Y79 AromaticContact CZ-CE1 3.74Å; F67-Y79 HydrophobicContact CZ-CE1 3.74Å; R75-Y79 HydrophobicContact CG-CD2 3.88Å; R75-Y79 HydrophobicContact CG-CE2 3.66Å; R75-Y79 PolarHBondContact NH2-OH 2.92Å; R75-Y79 VanDerWaalsContact NH2-OH 3.09Å; R75-Y79 WeakPolarHBondContact O-CB 3.26Å; R75-Y79 WeakPolarHBondContact O-CD2 3.34Å; R75-Y79 PolarHBondContact O-N 2.85Å; T76-Y79 PolarHBondContact O-N 2.7Å; Y79-C82 PolarHBondContact O-N 3.08Å; Y79-E83 PolarHBondContact O-N 3.42Å; Y79-Y461 AromaticContact CD1-CD1 3.52Å; Y79-Y461 HydrophobicContact CD1-CD1 3.52Å; Y79-Y461 HydrophobicContact CD1-CE1 4.32Å; Y79-Y461 HydrophobicContact CD1-CG 4.45Å; Y79-Y461 HydrophobicContact CE1-CD1 4.05Å; Y79-Y461 AromaticContact CG-CD1 3.76Å; Y79-Y461 HydrophobicContact CG-CD1 3.76Å; Y79-Y461 HydrophobicContact CG-CE1 4.45Å; Y79-Y461 WeakPolarHBondContact O-CB 3.42Å; Y79-H462 HydrophobicContact CD1-CB 4.16Å; Y79-H462 HydrophobicContact CE1-CB 4.22Å; Y79-L465 HydrophobicContact CE1-CD1 3.84Å
80S90.7Very high88.7Confident7 Ų767.7 Ų67.75%0.04933%0.329CS..Hα-helixtrans-65-40.8175.567.30000112T76 L77 H78 C82 E83 V84T76-S80 WeakPolarHBondContact O-CB 3.44Å; T76-S80 PolarHBondContact O-N 2.81Å; T76-S80 PolarHBondContact O-OG 3.45Å; L77-S80 WeakPolarHBondContact CA-OG 3.23Å; L77-S80 PolarHBondContact O-OG 2.06Å; H78-S80 PolarHBondContact O-N 3.21Å; S80-C82 VanDerWaalsContact C-N 3.32Å; S80-C82 PolarHBondContact O-N 2.87Å; S80-E83 PolarHBondContact O-N 3.21Å; S80-V84 WeakPolarHBondContact O-CG2 3.5Å; S80-V84 PolarHBondContact O-N 3.12Å
81S91.9Very high88.9Confident66 Ų6664 Ų6446%0.46232%0.319SS..Hα-helixtrans-63.6-38.6175.9-58.30000111.9L77 H78 V84 Y85L77-S81 WeakPolarHBondContact O-CB 3.39Å; L77-S81 PolarHBondContact O-N 3.2Å; L77-S81 PolarHBondContact O-OG 2.72Å; H78-S81 PolarHBondContact O-N 3.22Å; S81-V84 PolarHBondContact O-N 2.9Å; S81-Y85 WeakPolarHBondContact O-CB 3.49Å; S81-Y85 PolarHBondContact O-N 3.36Å
82C92.3Very high89.1Confident11 Ų1161.8 Ų61.87%0.07432%0.319CS..Hα-helixtrans-65.5-40.8173.2-69.70000112.3H78 Y79 S80 Y85 C86 Y461H78-C82 PolarHBondContact CE1-SG 2.91Å; H78-C82 PolarHBondContact O-N 3.45Å; H78-C82 PolarHBondContact O-SG 3.28Å; Y79-C82 PolarHBondContact O-N 3.08Å; S80-C82 VanDerWaalsContact C-N 3.32Å; S80-C82 PolarHBondContact O-N 2.87Å; C82-Y85 PolarHBondContact O-N 2.66Å; C82-C86 PolarHBondContact O-N 2.88Å; C82-Y461 HydrophobicContact CB-CD1 3.92Å; C82-Y461 HydrophobicContact CB-CD2 3.87Å; C82-Y461 HydrophobicContact CB-CE1 3.64Å; C82-Y461 HydrophobicContact CB-CE2 3.61Å; C82-Y461 HydrophobicContact CB-CG 4.04Å; C82-Y461 VanDerWaalsContact CB-CZ 3.5Å
83E90.9Very high89.3Confident0 Ų062.8 Ų62.80%032%0.323CS..Hα-helixtrans-60.7-47.7174.7-17056.1-161.300111.1Y79 S80 Y85 C86 M87 L457 R460 Y461 R464Y79-E83 PolarHBondContact O-N 3.42Å; S80-E83 PolarHBondContact O-N 3.21Å; E83-Y85 VanDerWaalsContact C-N 3.26Å; E83-Y85 PolarHBondContact O-N 2.81Å; E83-C86 PolarHBondContact O-N 2.89Å; E83-M87 HydrophobicContact CG-CG 4.3Å; E83-M87 HydrophobicContact CG-SD 4.19Å; E83-M87 WeakPolarHBondContact O-CB 3.3Å; E83-M87 WeakPolarHBondContact O-CG 3.47Å; E83-M87 PolarHBondContact O-N 3.46Å; E83-L457 HydrophobicContact CB-CB 4.45Å; E83-L457 HydrophobicContact CB-CD2 4.49Å; E83-L457 WeakPolarHBondContact CB-O 3.36Å; E83-L457 HydrophobicContact CG-CD2 4.03Å; E83-R460 HydrophobicContact CG-CB 4.23Å; E83-R460 HydrophobicContact CG-CG 4.34Å; E83-R460 WeakPolarHBondContact OE1-CD 3.34Å; E83-R460 WeakPolarHBondContact OE1-CG 3.33Å; E83-R460 IonicContact OE1-CZ 2.7Å; E83-R460 IonicContact OE1-NE 3.55Å; E83-R460 PolarHBondContact OE1-NE 3.41Å; E83-Y461 VanDerWaalsContact OE2-CA 3.24Å; E83-Y461 WeakPolarHBondContact OE2-CA 3.27Å; E83-Y461 PolarHBondContact OE2-N 2.85Å; E83-R464 VanDerWaalsContact CD-NE 3.27Å; E83-R464 IonicContact OE1-CZ 2.81Å; E83-R464 IonicContact OE1-NE 3.52Å; E83-R464 PolarHBondContact OE1-NE 2.78Å; E83-R464 IonicContact OE1-NH2 3.78Å; E83-R464 PolarHBondContact OE1-NH2 2.85Å; E83-R464 VanDerWaalsContact OE2-CD 3.22Å; E83-R464 WeakPolarHBondContact OE2-CD 3.45Å; E83-R464 IonicContact OE2-CZ 3.49Å; E83-R464 IonicContact OE2-NE 3.08Å; E83-R464 PolarHBondContact OE2-NE 2.72Å
84V91.5Very high89.1Confident65 Ų6566.9 Ų66.939%0.39433%0.334SS..Hα-helixtrans-57.8-44.5177.9171.30000109.8S80 S81 M87 L88 L457S80-V84 WeakPolarHBondContact O-CG2 3.5Å; S80-V84 PolarHBondContact O-N 3.12Å; S81-V84 PolarHBondContact O-N 2.9Å; V84-M87 PolarHBondContact O-N 3.35Å; V84-L88 HydrophobicContact CG1-CD1 3.93Å; V84-L88 HydrophobicContact CG1-CG 4.39Å; V84-L88 WeakPolarHBondContact O-CB 3.37Å; V84-L88 WeakPolarHBondContact O-CG 3.31Å; V84-L88 PolarHBondContact O-N 3.36Å; V84-L457 HydrophobicContact CG2-CD1 3.94Å
85Y92.8Very high88.9Confident111 Ų11163.7 Ų63.744%0.43533%0.325SS..Hα-helixtrans-62-49.3175.6-179.3-97000112.4S81 C82 E83 M87 L88 T89S81-Y85 WeakPolarHBondContact O-CB 3.49Å; S81-Y85 PolarHBondContact O-N 3.36Å; C82-Y85 PolarHBondContact O-N 2.66Å; E83-Y85 VanDerWaalsContact C-N 3.26Å; E83-Y85 PolarHBondContact O-N 2.81Å; Y85-M87 VanDerWaalsContact C-N 3.35Å; Y85-M87 PolarHBondContact O-N 3.33Å; Y85-L88 PolarHBondContact O-N 2.87Å; Y85-T89 HydrophobicContact CD1-CG2 4.13Å; Y85-T89 HydrophobicContact CD2-CG2 4.48Å; Y85-T89 HydrophobicContact CE1-CG2 3.66Å; Y85-T89 HydrophobicContact CE2-CG2 4.06Å; Y85-T89 WeakPolarHBondContact O-CG2 3.36Å; Y85-T89 PolarHBondContact O-N 3.34Å; Y85-T89 PolarHBondContact O-OG1 2.8Å
86C90.6Very high88.8Confident4 Ų468.2 Ų68.23%0.02734%0.342CS..Hα-helixtrans-59.2-46.5177.5-71.50000110.7C5 C82 E83 L88 T89 E90C5-C86 HydrophobicContact CB-CB 3.98Å; C5-C86 WeakPolarHBondContact CB-SG 3.35Å; C5-C86 VanDerWaalsContact SG-CA 3.54Å; C5-C86 WeakPolarHBondContact SG-CB 3.37Å; C5-C86 CovalentContact SG-SG 2.06Å; C5-C86 PolarHBondContact SG-SG 3.31Å; C82-C86 PolarHBondContact O-N 2.88Å; E83-C86 PolarHBondContact O-N 2.89Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 2.84Å; C86-T89 PolarHBondContact O-N 2.87Å; C86-T89 VanDerWaalsContact O-N 3.12Å; C86-T89 PolarHBondContact O-OG1 2.73Å; C86-E90 WeakPolarHBondContact O-CG 3.33Å; C86-E90 PolarHBondContact O-N 3.31Å
87M88.7Confident88.6Confident65 Ų6575.8 Ų75.832%0.3238%0.377SS..Hα-helixtrans-58.1-42176.1-73-17370.100112.5E83 V84 Y85 S91 L457E83-M87 HydrophobicContact CG-CG 4.3Å; E83-M87 HydrophobicContact CG-SD 4.19Å; E83-M87 WeakPolarHBondContact O-CB 3.3Å; E83-M87 WeakPolarHBondContact O-CG 3.47Å; E83-M87 PolarHBondContact O-N 3.46Å; V84-M87 PolarHBondContact O-N 3.35Å; Y85-M87 VanDerWaalsContact C-N 3.35Å; Y85-M87 PolarHBondContact O-N 3.33Å; M87-S91 VanDerWaalsContact O-CB 3.23Å; M87-S91 WeakPolarHBondContact O-CB 3.25Å; M87-S91 PolarHBondContact O-N 2.91Å; M87-S91 PolarHBondContact O-OG 3.1Å; M87-L457 HydrophobicContact SD-CD2 4.3Å
88L90.3Very high88.3Confident106 Ų10676.4 Ų76.456%0.55538%0.377SS*.Hα-helixtrans-64.5-42.1175.6-74.3170.9000111.5V84 Y85 C86 S92V84-L88 HydrophobicContact CG1-CD1 3.93Å; V84-L88 HydrophobicContact CG1-CG 4.39Å; V84-L88 WeakPolarHBondContact O-CB 3.37Å; V84-L88 WeakPolarHBondContact O-CG 3.31Å; V84-L88 PolarHBondContact O-N 3.36Å; Y85-L88 PolarHBondContact O-N 2.87Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 2.84Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.12Å; L88-S92 PolarHBondContact O-N 3.46Å; L88-S92 PolarHBondContact O-OG 3.3Å
89T89.7Confident88.1Confident27 Ų2778 Ų7817%0.16638%0.38CS..Hα-helixtrans-68.4-40.2178.363.90000112.8Y85 C86 S92 K93Y85-T89 HydrophobicContact CD1-CG2 4.13Å; Y85-T89 HydrophobicContact CD2-CG2 4.48Å; Y85-T89 HydrophobicContact CE1-CG2 3.66Å; Y85-T89 HydrophobicContact CE2-CG2 4.06Å; Y85-T89 WeakPolarHBondContact O-CG2 3.36Å; Y85-T89 PolarHBondContact O-N 3.34Å; Y85-T89 PolarHBondContact O-OG1 2.8Å; C86-T89 PolarHBondContact O-N 2.87Å; C86-T89 VanDerWaalsContact O-N 3.12Å; C86-T89 PolarHBondContact O-OG1 2.73Å; T89-S92 PolarHBondContact O-N 2.93Å; T89-K93 WeakPolarHBondContact O-CG 3.48Å; T89-K93 PolarHBondContact O-N 2.99Å
90E87.7Confident87.9Confident49 Ų4984.4 Ų84.423%0.22941%0.405CS..Hα-helixtrans-64.6-45.7175.2-74.2172174.200111.5C86 S92 K93 K94 R464C86-E90 WeakPolarHBondContact O-CG 3.33Å; C86-E90 PolarHBondContact O-N 3.31Å; E90-S92 VanDerWaalsContact C-N 3.28Å; E90-S92 PolarHBondContact O-N 3.26Å; E90-K93 PolarHBondContact O-N 3.46Å; E90-K94 WeakPolarHBondContact O-CG 3.46Å; E90-K94 PolarHBondContact O-N 2.99Å; E90-R464 IonicContact OE1-CZ 3.6Å; E90-R464 IonicContact OE1-NH1 3.77Å; E90-R464 PolarHBondContact OE1-NH1 2.63Å; E90-R464 IonicContact OE1-NH2 2.67Å; E90-R464 IonicContact OE2-CZ 3.93Å; E90-R464 IonicContact OE2-NH1 2.78Å; E90-R464 IonicContact OE2-NH2 3.99Å; E90-R464 PolarHBondContact OE2-NH2 2.95Å; E90-R464 VanDerWaalsContact OE2-NH2 3.08Å
91S82.7Confident87.7Confident68 Ų6887.9 Ų87.948%0.47643%0.426SS..Hα-helixtrans-60.9-40.6175.4-59.10000110.9M87 K94 L95M87-S91 VanDerWaalsContact O-CB 3.23Å; M87-S91 WeakPolarHBondContact O-CB 3.25Å; M87-S91 PolarHBondContact O-N 2.91Å; M87-S91 PolarHBondContact O-OG 3.1Å; S91-K94 PolarHBondContact O-N 3.09Å; S91-L95 VanDerWaalsContact O-CB 3.26Å; S91-L95 WeakPolarHBondContact O-CB 3.33Å; S91-L95 PolarHBondContact O-N 3.23Å
92S84.2Confident87.4Confident75 Ų7585.5 Ų85.552%0.52441%0.412SS..Hα-helixtrans-64.2-42176.1-60.30000112.3L88 T89 E90 L95 W96L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.12Å; L88-S92 PolarHBondContact O-N 3.46Å; L88-S92 PolarHBondContact O-OG 3.3Å; T89-S92 PolarHBondContact O-N 2.93Å; E90-S92 VanDerWaalsContact C-N 3.28Å; E90-S92 PolarHBondContact O-N 3.26Å; S92-L95 PolarHBondContact O-N 3.48Å; S92-W96 WeakPolarHBondContact O-CB 3.24Å; S92-W96 PolarHBondContact O-N 3.34Å
93K87.5Confident87.2Confident104 Ų10487.2 Ų87.245%0.45243%0.427SS..Hα-helixtrans-64.2-44.3175.3-71.9169.9-176.4173.60111.8C5 T89 E90 W96 H97C5-K93 PolarHBondContact O-NZ 2.94Å; T89-K93 WeakPolarHBondContact O-CG 3.48Å; T89-K93 PolarHBondContact O-N 2.99Å; E90-K93 PolarHBondContact O-N 3.46Å; K93-W96 WeakPolarHBondContact O-CB 3.37Å; K93-W96 PolarHBondContact O-N 3.49Å; K93-H97 PolarHBondContact O-N 3.37Å
94K84.3Confident87.2Confident151 Ų15192.2 Ų92.266%0.65745%0.453SS*.Hα-helixtrans-64-41.5176.9-73.6177.9-179.8177.90112.1E90 S91 W96 H97 H98E90-K94 WeakPolarHBondContact O-CG 3.46Å; E90-K94 PolarHBondContact O-N 2.99Å; S91-K94 PolarHBondContact O-N 3.09Å; K94-W96 VanDerWaalsContact C-N 3.32Å; K94-H97 WeakPolarHBondContact O-CB 3.21Å; K94-H97 PolarHBondContact O-N 2.97Å; K94-H98 PolarHBondContact O-N 2.97Å; K94-H98 PolarHBondContact O-ND1 3.24Å; K94-H98 VanDerWaalsContact O-ND1 3.1Å
95L83Confident87.1Confident113 Ų11394.5 Ų94.559%0.59246%0.462SS*.Hα-helixtrans-65-37.9175.1-173.463.1000111.3S91 S92 H97 H98 R99S91-L95 VanDerWaalsContact O-CB 3.26Å; S91-L95 WeakPolarHBondContact O-CB 3.33Å; S91-L95 PolarHBondContact O-N 3.23Å; S92-L95 PolarHBondContact O-N 3.48Å; L95-H97 VanDerWaalsContact C-N 3.32Å; L95-H97 PolarHBondContact O-N 2.95Å; L95-H98 CarbonylContact O-C 3.55Å; L95-H98 VanDerWaalsContact O-C 3.22Å; L95-H98 WeakPolarHBondContact O-CA 3.35Å; L95-H98 PolarHBondContact O-N 3.46Å; L95-H98 VanDerWaalsContact O-N 3.11Å; L95-R99 PolarHBondContact O-N 3.42Å
96W84.8Confident86.9Confident192 Ų19295.5 Ų95.573%0.72747%0.474SS*.Hα-helixtrans-63.8-35.9174.7-169.1-89.9000112.9S92 K93 K94 H98 R99S92-W96 WeakPolarHBondContact O-CB 3.24Å; S92-W96 PolarHBondContact O-N 3.34Å; K93-W96 WeakPolarHBondContact O-CB 3.37Å; K93-W96 PolarHBondContact O-N 3.49Å; K94-W96 VanDerWaalsContact C-N 3.32Å; W96-H98 PolarHBondContact O-N 3.34Å; W96-R99 WeakPolarHBondContact O-CB 3.22Å; W96-R99 PolarHBondContact O-N 3.13Å; W96-R99 VanDerWaalsContact O-N 3.07Å
97H84Confident87Confident158 Ų15899.3 Ų99.373%0.73150%0.497SS*.Hα-helixtrans-60.9-34.7173.9-161.958.7000111.6K93 K94 L95 R99K93-H97 PolarHBondContact O-N 3.37Å; K94-H97 WeakPolarHBondContact O-CB 3.21Å; K94-H97 PolarHBondContact O-N 2.97Å; L95-H97 VanDerWaalsContact C-N 3.32Å; L95-H97 PolarHBondContact O-N 2.95Å; H97-R99 VanDerWaalsContact C-N 3.33Å; H97-R99 PolarHBondContact O-N 3.36Å
98H84.4Confident87.2Confident109 Ų109100.7 Ų100.751%0.50551%0.505SS..THydrogen-bonded Turntrans-94.728175.1-62.184.8000112.9K94 L95 W96 Y100 V101 G102K94-H98 PolarHBondContact O-N 2.97Å; K94-H98 PolarHBondContact O-ND1 3.24Å; K94-H98 VanDerWaalsContact O-ND1 3.1Å; L95-H98 CarbonylContact O-C 3.55Å; L95-H98 VanDerWaalsContact O-C 3.22Å; L95-H98 WeakPolarHBondContact O-CA 3.35Å; L95-H98 PolarHBondContact O-N 3.46Å; L95-H98 VanDerWaalsContact O-N 3.11Å; W96-H98 PolarHBondContact O-N 3.34Å; H98-Y100 PolarHBondContact O-N 3.47Å; H98-V101 HydrophobicContact CB-CB 4.37Å; H98-V101 WeakPolarHBondContact O-CA 3.33Å; H98-V101 WeakPolarHBondContact O-CB 3.41Å; H98-V101 PolarHBondContact O-N 3.45Å; H98-G102 PolarHBondContact O-N 3.05Å
99R87.3Confident87.1Confident126 Ų12697.5 Ų97.548%0.47550%0.498SS..Hα-helixtrans-52.6-33.4-172.962.9-177.7-176.1107.8-2.7114.7L95 W96 H97 A103L95-R99 PolarHBondContact O-N 3.42Å; W96-R99 WeakPolarHBondContact O-CB 3.22Å; W96-R99 PolarHBondContact O-N 3.13Å; W96-R99 VanDerWaalsContact O-N 3.07Å; H97-R99 VanDerWaalsContact C-N 3.33Å; H97-R99 PolarHBondContact O-N 3.36Å; R99-A103 WeakPolarHBondContact O-CB 3.41Å; R99-A103 PolarHBondContact O-N 2.96Å
100Y87Confident87.1Confident165 Ų165102.3 Ų102.365%0.64752%0.517SS*.Hα-helixtrans-70.9-37.7178-65.2-65.4000112.1H98 A103 L104H98-Y100 PolarHBondContact O-N 3.47Å; Y100-A103 PolarHBondContact O-N 2.81Å; Y100-L104 VanDerWaalsContact O-CB 3.27Å; Y100-L104 WeakPolarHBondContact O-CB 3.2Å; Y100-L104 PolarHBondContact O-N 3.36Å
101V86.3Confident87.3Confident81 Ų81104.7 Ų104.749%0.49153%0.531SS..Hα-helixtrans-66.7-45.4173.8-177.10000109.5H98 A103 L104 L105H98-V101 HydrophobicContact CB-CB 4.37Å; H98-V101 WeakPolarHBondContact O-CA 3.33Å; H98-V101 WeakPolarHBondContact O-CB 3.41Å; H98-V101 PolarHBondContact O-N 3.45Å; V101-A103 PolarHBondContact O-N 3.34Å; V101-L104 PolarHBondContact O-N 2.9Å; V101-L105 HydrophobicContact CG1-CD1 4.21Å; V101-L105 WeakPolarHBondContact O-CB 3.4Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 3.07Å
102G85.2Confident87.5Confident16 Ų16107.5 Ų107.517%0.16553%0.534CS..Hα-helixtrans-59.2-46.4174.200000112.7H98 L105 L106H98-G102 PolarHBondContact O-N 3.05Å; G102-L105 PolarHBondContact O-N 2.89Å; G102-L106 WeakPolarHBondContact O-CB 3.45Å; G102-L106 WeakPolarHBondContact O-CG 3.33Å; G102-L106 PolarHBondContact O-N 3.05Å
103A87.9Confident87.6Confident47 Ų47110 Ų11039%0.38853%0.534SS..Hα-helixtrans-63.9-41.5177.400000112.2R99 Y100 V101 L106 V107R99-A103 WeakPolarHBondContact O-CB 3.41Å; R99-A103 PolarHBondContact O-N 2.96Å; Y100-A103 PolarHBondContact O-N 2.81Å; V101-A103 PolarHBondContact O-N 3.34Å; A103-L106 PolarHBondContact O-N 3.22Å; A103-V107 WeakPolarHBondContact O-CB 3.28Å; A103-V107 VanDerWaalsContact O-CG2 3.31Å; A103-V107 WeakPolarHBondContact O-CG2 3.26Å; A103-V107 PolarHBondContact O-N 3.11Å
104L90.6Very high87.5Confident105 Ų105110.1 Ų110.155%0.5553%0.534SS..Hα-helixtrans-61.4-46.4175179.164.2000111.2Y100 V101 L106 V107 L108Y100-L104 VanDerWaalsContact O-CB 3.27Å; Y100-L104 WeakPolarHBondContact O-CB 3.2Å; Y100-L104 PolarHBondContact O-N 3.36Å; V101-L104 PolarHBondContact O-N 2.9Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 3.46Å; L104-V107 PolarHBondContact O-N 3.07Å; L104-L108 HydrophobicContact CD1-CD1 4.2Å; L104-L108 HydrophobicContact CD1-CG 4.36Å; L104-L108 HydrophobicContact CG-CD1 3.96Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 VanDerWaalsContact O-CG 3.25Å; L104-L108 WeakPolarHBondContact O-CG 3.45Å; L104-L108 PolarHBondContact O-N 3.11Å
105L89.2Confident87.5Confident112 Ų112106.5 Ų106.559%0.58652%0.524SS*.Hα-helixtrans-63.3-37.8176.5-70.7174000112.2V101 G102 G109V101-L105 HydrophobicContact CG1-CD1 4.21Å; V101-L105 WeakPolarHBondContact O-CB 3.4Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 3.07Å; G102-L105 PolarHBondContact O-N 2.89Å; L105-G109 PolarHBondContact O-N 3.2Å
106L89.7Confident87.3Confident132 Ų132102.4 Ų102.469%0.69151%0.505SS*.Hα-helixtrans-66.7-43.3174.6-75.4173000112.2G102 A103 L104 G109 F110G102-L106 WeakPolarHBondContact O-CB 3.45Å; G102-L106 WeakPolarHBondContact O-CG 3.33Å; G102-L106 PolarHBondContact O-N 3.05Å; A103-L106 PolarHBondContact O-N 3.22Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 3.46Å; L106-G109 PolarHBondContact O-N 3.34Å; L106-F110 VanDerWaalsContact O-CB 3.3Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 3.25Å
107V92.2Very high87.2Confident85 Ų85101.6 Ų101.652%0.51550%0.502SS..Hα-helixtrans-63.5-44.1175.7169.50000110.6A103 L104 F110 L111A103-V107 WeakPolarHBondContact O-CB 3.28Å; A103-V107 VanDerWaalsContact O-CG2 3.31Å; A103-V107 WeakPolarHBondContact O-CG2 3.26Å; A103-V107 PolarHBondContact O-N 3.11Å; L104-V107 PolarHBondContact O-N 3.07Å; V107-F110 PolarHBondContact O-N 3.39Å; V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 WeakPolarHBondContact O-CB 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.32Å; V107-L111 PolarHBondContact O-N 3.32Å
108L92.5Very high87.1Confident93 Ų9399 Ų9949%0.48749%0.493SS..Hα-helixtrans-63.2-42.1174.7-72.4168.5000111.9L104 L111 F112L104-L108 HydrophobicContact CD1-CD1 4.2Å; L104-L108 HydrophobicContact CD1-CG 4.36Å; L104-L108 HydrophobicContact CG-CD1 3.96Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 VanDerWaalsContact O-CG 3.25Å; L104-L108 WeakPolarHBondContact O-CG 3.45Å; L104-L108 PolarHBondContact O-N 3.11Å; L108-L111 PolarHBondContact O-N 2.83Å; L108-F112 VanDerWaalsContact O-CB 3.26Å; L108-F112 WeakPolarHBondContact O-CB 3.41Å; L108-F112 PolarHBondContact O-N 3.06Å
109G89Confident86.9Confident39 Ų3999.9 Ų99.940%0.40251%0.508SS..Hα-helixtrans-65.1-37.817600000112.6L105 L106 Y113L105-G109 PolarHBondContact O-N 3.2Å; L106-G109 PolarHBondContact O-N 3.34Å; G109-Y113 WeakPolarHBondContact O-CB 3.18Å; G109-Y113 PolarHBondContact O-N 3.06Å
110F90.8Very high86.6Confident129 Ų12995.6 Ų95.657%0.56650%0.503SS*.Hα-helixtrans-69.8-45.6174.7-171.6-96.3000111.5L106 V107 F112 Y113 F114L106-F110 VanDerWaalsContact O-CB 3.3Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 3.25Å; V107-F110 PolarHBondContact O-N 3.39Å; F110-F112 VanDerWaalsContact C-N 3.3Å; F110-F112 PolarHBondContact O-N 3.31Å; F110-Y113 WeakPolarHBondContact O-CB 3.5Å; F110-Y113 PolarHBondContact O-N 2.86Å; F110-F114 AromaticContact CD1-CD2 3.66Å; F110-F114 HydrophobicContact CD1-CD2 3.66Å; F110-F114 AromaticContact CD1-CE2 3.81Å; F110-F114 HydrophobicContact CD1-CE2 3.81Å; F110-F114 HydrophobicContact CD2-CD2 4.3Å; F110-F114 HydrophobicContact CD2-CE2 4.04Å; F110-F114 AromaticContact CE1-CD2 3.45Å; F110-F114 HydrophobicContact CE1-CD2 3.45Å; F110-F114 VanDerWaalsContact CE1-CD2 3.45Å; F110-F114 AromaticContact CE1-CE2 3.16Å; F110-F114 HydrophobicContact CE1-CE2 3.16Å; F110-F114 HydrophobicContact CE1-CG 4.45Å; F110-F114 AromaticContact CE1-CZ 3.89Å; F110-F114 HydrophobicContact CE1-CZ 3.89Å; F110-F114 HydrophobicContact CE2-CD2 4.13Å; F110-F114 AromaticContact CE2-CE2 3.44Å; F110-F114 HydrophobicContact CE2-CE2 3.44Å; F110-F114 VanDerWaalsContact CE2-CE2 3.44Å; F110-F114 HydrophobicContact CE2-CZ 4.38Å; F110-F114 HydrophobicContact CG-CD2 4.11Å; F110-F114 HydrophobicContact CG-CE2 4.24Å; F110-F114 AromaticContact CZ-CD2 3.75Å; F110-F114 HydrophobicContact CZ-CD2 3.75Å; F110-F114 AromaticContact CZ-CE2 2.98Å; F110-F114 HydrophobicContact CZ-CE2 2.98Å; F110-F114 AromaticContact CZ-CZ 3.65Å; F110-F114 HydrophobicContact CZ-CZ 3.65Å; F110-F114 WeakPolarHBondContact O-CD2 3.41Å; F110-F114 PolarHBondContact O-N 3.39Å
111L89.9Confident86.3Confident98 Ų9896.4 Ų96.451%0.51351%0.513SS..Hα-helixtrans-55.9-46.2171.9-85.9156000111.2V107 L108 F114 V115V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 WeakPolarHBondContact O-CB 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.32Å; V107-L111 PolarHBondContact O-N 3.32Å; L108-L111 PolarHBondContact O-N 2.83Å; L111-F114 PolarHBondContact O-N 3.31Å; L111-V115 VanDerWaalsContact O-CG2 3.28Å; L111-V115 WeakPolarHBondContact O-CG2 3.44Å; L111-V115 PolarHBondContact O-N 3.24Å
112F87.2Confident86.1Confident127 Ų12795.8 Ų95.856%0.55750%0.504SS*.Hα-helixtrans-61.4-46.5175.5-179.1-101.9000111.8L108 F110 F114 V115 C116L108-F112 VanDerWaalsContact O-CB 3.26Å; L108-F112 WeakPolarHBondContact O-CB 3.41Å; L108-F112 PolarHBondContact O-N 3.06Å; F110-F112 VanDerWaalsContact C-N 3.3Å; F110-F112 PolarHBondContact O-N 3.31Å; F112-F114 VanDerWaalsContact C-N 3.32Å; F112-F114 PolarHBondContact O-N 2.98Å; F112-V115 PolarHBondContact O-N 2.89Å; F112-C116 VanDerWaalsContact CE1-SG 3.6Å; F112-C116 VanDerWaalsContact CZ-SG 3.53Å; F112-C116 WeakPolarHBondContact O-CB 3.3Å; F112-C116 PolarHBondContact O-N 3.32Å; F112-C116 PolarHBondContact O-SG 3.49Å
113Y86.6Confident85.8Confident129 Ų12999.1 Ų99.151%0.50652%0.516SS..Hα-helixtrans-57.7-43.5175.2176.5-97.3000112.1G109 F110 C116 R117G109-Y113 WeakPolarHBondContact O-CB 3.18Å; G109-Y113 PolarHBondContact O-N 3.06Å; F110-Y113 WeakPolarHBondContact O-CB 3.5Å; F110-Y113 PolarHBondContact O-N 2.86Å; Y113-C116 PolarHBondContact O-N 2.96Å; Y113-R117 HydrophobicContact CD1-CG 4.37Å; Y113-R117 HydrophobicContact CE1-CG 3.96Å; Y113-R117 HydrophobicContact CE2-CG 4.13Å; Y113-R117 VanDerWaalsContact O-CG 3.23Å; Y113-R117 WeakPolarHBondContact O-CG 3.32Å; Y113-R117 PolarHBondContact O-N 3.19Å; Y113-R117 VanDerWaalsContact O-N 3.11Å
114F85.7Confident85.3Confident105 Ų105104.6 Ų104.646%0.46153%0.533SS..Hα-helixtrans-64.6-45.1176.1-93.4-96.7000112.1F110 L111 F112 C116 R117 L118F110-F114 AromaticContact CD1-CD2 3.66Å; F110-F114 HydrophobicContact CD1-CD2 3.66Å; F110-F114 AromaticContact CD1-CE2 3.81Å; F110-F114 HydrophobicContact CD1-CE2 3.81Å; F110-F114 HydrophobicContact CD2-CD2 4.3Å; F110-F114 HydrophobicContact CD2-CE2 4.04Å; F110-F114 AromaticContact CE1-CD2 3.45Å; F110-F114 HydrophobicContact CE1-CD2 3.45Å; F110-F114 VanDerWaalsContact CE1-CD2 3.45Å; F110-F114 AromaticContact CE1-CE2 3.16Å; F110-F114 HydrophobicContact CE1-CE2 3.16Å; F110-F114 HydrophobicContact CE1-CG 4.45Å; F110-F114 AromaticContact CE1-CZ 3.89Å; F110-F114 HydrophobicContact CE1-CZ 3.89Å; F110-F114 HydrophobicContact CE2-CD2 4.13Å; F110-F114 AromaticContact CE2-CE2 3.44Å; F110-F114 HydrophobicContact CE2-CE2 3.44Å; F110-F114 VanDerWaalsContact CE2-CE2 3.44Å; F110-F114 HydrophobicContact CE2-CZ 4.38Å; F110-F114 HydrophobicContact CG-CD2 4.11Å; F110-F114 HydrophobicContact CG-CE2 4.24Å; F110-F114 AromaticContact CZ-CD2 3.75Å; F110-F114 HydrophobicContact CZ-CD2 3.75Å; F110-F114 AromaticContact CZ-CE2 2.98Å; F110-F114 HydrophobicContact CZ-CE2 2.98Å; F110-F114 AromaticContact CZ-CZ 3.65Å; F110-F114 HydrophobicContact CZ-CZ 3.65Å; F110-F114 WeakPolarHBondContact O-CD2 3.41Å; F110-F114 PolarHBondContact O-N 3.39Å; L111-F114 PolarHBondContact O-N 3.31Å; F112-F114 VanDerWaalsContact C-N 3.32Å; F112-F114 PolarHBondContact O-N 2.98Å; F114-C116 VanDerWaalsContact C-N 3.28Å; F114-C116 PolarHBondContact O-N 3.49Å; F114-R117 PolarHBondContact O-N 2.99Å; F114-L118 WeakPolarHBondContact O-CG 3.31Å; F114-L118 PolarHBondContact O-N 3.32Å; F114-L118 VanDerWaalsContact O-N 3.11Å
115V83.5Confident84.8Confident75 Ų75104.4 Ų104.446%0.45554%0.536SS..Hα-helixtrans-57.1-44.2173.9171.20000110.2L111 F112 R117 L118 H122L111-V115 VanDerWaalsContact O-CG2 3.28Å; L111-V115 WeakPolarHBondContact O-CG2 3.44Å; L111-V115 PolarHBondContact O-N 3.24Å; F112-V115 PolarHBondContact O-N 2.89Å; V115-R117 PolarHBondContact O-N 2.9Å; V115-L118 PolarHBondContact O-N 2.88Å; V115-H122 PolarHBondContact O-NE2 2.84Å
116C80.1Confident84.5Confident28 Ų28100.8 Ų100.819%0.18952%0.517CS..Hα-helixtrans-68.9-14.1177.8-660000115.1F112 Y113 F114 Q123 L126F112-C116 VanDerWaalsContact CE1-SG 3.6Å; F112-C116 VanDerWaalsContact CZ-SG 3.53Å; F112-C116 WeakPolarHBondContact O-CB 3.3Å; F112-C116 PolarHBondContact O-N 3.32Å; F112-C116 PolarHBondContact O-SG 3.49Å; Y113-C116 PolarHBondContact O-N 2.96Å; F114-C116 VanDerWaalsContact C-N 3.28Å; F114-C116 PolarHBondContact O-N 3.49Å; C116-Q123 PolarHBondContact O-OE1 2.88Å; C116-L126 HydrophobicContact CB-CD1 3.93Å
117R82.2Confident84.1Confident175 Ų175101.9 Ų101.966%0.6651%0.513SS*.Hα-helixtrans-101.4-13.2178.3-66.8-73.6-84.5141-4.8112.9Y113 F114 V115Y113-R117 HydrophobicContact CD1-CG 4.37Å; Y113-R117 HydrophobicContact CE1-CG 3.96Å; Y113-R117 HydrophobicContact CE2-CG 4.13Å; Y113-R117 VanDerWaalsContact O-CG 3.23Å; Y113-R117 WeakPolarHBondContact O-CG 3.32Å; Y113-R117 PolarHBondContact O-N 3.19Å; Y113-R117 VanDerWaalsContact O-N 3.11Å; F114-R117 PolarHBondContact O-N 2.99Å; V115-R117 PolarHBondContact O-N 2.9Å
118L82.4Confident83.5Confident104 Ų104100.4 Ų100.455%0.54551%0.507SS..SBendtrans-71.9125.1175.6-76.5166.8000109.6F114 V115 G120 H122F114-L118 WeakPolarHBondContact O-CG 3.31Å; F114-L118 PolarHBondContact O-N 3.32Å; F114-L118 VanDerWaalsContact O-N 3.11Å; V115-L118 PolarHBondContact O-N 2.88Å; L118-G120 PolarHBondContact O-N 2.93Å; L118-H122 PolarHBondContact O-CE1 3.43Å; L118-H122 PolarHBondContact O-NE2 3.24Å
119P80.4Confident83.2Confident127 Ų127100 Ų10083%0.82550%0.504SS*.  trans-65.6128.3176.326.9-32.9000110.1
120G81.2Confident83Confident36 Ų36103.5 Ų103.537%0.37151%0.511SS..SBendtrans-175.4176.3176.400000113.3L118 H122 Q123L118-G120 PolarHBondContact O-N 2.93Å; G120-H122 PolarHBondContact O-N 2.96Å; G120-H122 VanDerWaalsContact O-N 3.11Å; G120-Q123 VanDerWaalsContact O-CB 3.27Å; G120-Q123 WeakPolarHBondContact O-CB 3.41Å; G120-Q123 PolarHBondContact O-N 3.25Å
121Q79Confident82.6Confident182 Ų182103.1 Ų103.185%0.8551%0.508SS*.THydrogen-bonded Turntrans-57.7-26.7178.4-67.2-177.8-11.800112.7Q123Q121-Q123 PolarHBondContact O-N 3.24Å
122H82Confident82.4Confident67 Ų67104.3 Ų104.331%0.3151%0.509SS..Hα-helixtrans-66.5-20.6176.367.1-83.1000113.2V115 L118 G120 Q124 V125 L126V115-H122 PolarHBondContact O-NE2 2.84Å; L118-H122 PolarHBondContact O-CE1 3.43Å; L118-H122 PolarHBondContact O-NE2 3.24Å; G120-H122 PolarHBondContact O-N 2.96Å; G120-H122 VanDerWaalsContact O-N 3.11Å; H122-Q124 VanDerWaalsContact C-N 3.32Å; H122-Q124 PolarHBondContact O-N 3.4Å; H122-V125 PolarHBondContact O-N 3.49Å; H122-V125 VanDerWaalsContact O-N 3.13Å; H122-L126 WeakPolarHBondContact O-CB 3.42Å; H122-L126 WeakPolarHBondContact O-CG 3.45Å; H122-L126 PolarHBondContact O-N 3.46Å
123Q79Confident82.4Confident87 Ų87103 Ų10341%0.40751%0.508SS..Hα-helixtrans-63.4-36.6179.8-168.667.5-2.200112.3C116 G120 Q121 V125 L126 Y127C116-Q123 PolarHBondContact O-OE1 2.88Å; G120-Q123 VanDerWaalsContact O-CB 3.27Å; G120-Q123 WeakPolarHBondContact O-CB 3.41Å; G120-Q123 PolarHBondContact O-N 3.25Å; Q121-Q123 PolarHBondContact O-N 3.24Å; Q123-V125 VanDerWaalsContact C-N 3.34Å; Q123-L126 PolarHBondContact O-N 3.02Å; Q123-Y127 WeakPolarHBondContact O-CB 3.36Å; Q123-Y127 PolarHBondContact O-N 3.5Å
124Q77.7Confident82.5Confident162 Ų162102.2 Ų102.276%0.75751%0.512SS*.Hα-helixtrans-65.8-39.8175.1-68.7-179.3-7.100111.3H122 S128H122-Q124 VanDerWaalsContact C-N 3.32Å; H122-Q124 PolarHBondContact O-N 3.4Å; Q124-S128 WeakPolarHBondContact O-CB 3.46Å; Q124-S128 PolarHBondContact O-N 3.43Å; Q124-S128 VanDerWaalsContact O-N 3.07Å
125V81.2Confident82.6Confident101 Ų101100 Ų10061%0.61250%0.5SS*.Hα-helixtrans-68.5-44.2176.7-178.70000110.7H122 Q123 S128 L129H122-V125 PolarHBondContact O-N 3.49Å; H122-V125 VanDerWaalsContact O-N 3.13Å; Q123-V125 VanDerWaalsContact C-N 3.34Å; V125-S128 PolarHBondContact O-N 2.94Å; V125-L129 VanDerWaalsContact O-CB 3.25Å; V125-L129 WeakPolarHBondContact O-CB 3.34Å; V125-L129 PolarHBondContact O-N 3.36Å
126L82.9Confident83Confident35 Ų3597.4 Ų97.418%0.18349%0.486CS..Hα-helixtrans-61.2-47176.9-79.2175.9000111.7C116 H122 Q123 S128 L129 E130C116-L126 HydrophobicContact CB-CD1 3.93Å; H122-L126 WeakPolarHBondContact O-CB 3.42Å; H122-L126 WeakPolarHBondContact O-CG 3.45Å; H122-L126 PolarHBondContact O-N 3.46Å; Q123-L126 PolarHBondContact O-N 3.02Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.22Å; L126-L129 CarbonylContact O-C 3.59Å; L126-L129 PolarHBondContact O-N 3.27Å; L126-E130 VanDerWaalsContact O-CB 3.3Å; L126-E130 WeakPolarHBondContact O-CB 3.28Å; L126-E130 PolarHBondContact O-N 3.07Å
127Y81.1Confident83.6Confident156 Ų15698 Ų9861%0.61249%0.493SS*.Hα-helixtrans-62.9-42.1178.1-177.7-104.9000111.7Q123 L129 K131Q123-Y127 WeakPolarHBondContact O-CB 3.36Å; Q123-Y127 PolarHBondContact O-N 3.5Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 2.86Å; Y127-K131 WeakPolarHBondContact O-CB 3.48Å; Y127-K131 PolarHBondContact O-N 3.22Å
128S80.1Confident84Confident53 Ų5395.1 Ų95.137%0.37148%0.483SS..Hα-helixtrans-63.5-39.7174.4-168.30000112.1Q124 V125 L126 K132Q124-S128 WeakPolarHBondContact O-CB 3.46Å; Q124-S128 PolarHBondContact O-N 3.43Å; Q124-S128 VanDerWaalsContact O-N 3.07Å; V125-S128 PolarHBondContact O-N 2.94Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.22Å; S128-K132 WeakPolarHBondContact O-CB 3.33Å; S128-K132 VanDerWaalsContact O-CG 3.28Å; S128-K132 WeakPolarHBondContact O-CG 3.27Å; S128-K132 PolarHBondContact O-N 3.35Å; S128-K132 VanDerWaalsContact O-N 3.09Å
129L85.3Confident84.4Confident84 Ų8490.6 Ų90.644%0.4446%0.458SS..Hα-helixtrans-69-46.7177.7-177.566.6000111.4V125 L126 Y127 K132 L133V125-L129 VanDerWaalsContact O-CB 3.25Å; V125-L129 WeakPolarHBondContact O-CB 3.34Å; V125-L129 PolarHBondContact O-N 3.36Å; L126-L129 CarbonylContact O-C 3.59Å; L126-L129 PolarHBondContact O-N 3.27Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 2.86Å; L129-K132 CarbonylContact O-C 3.52Å; L129-K132 PolarHBondContact O-N 3.04Å; L129-L133 HydrophobicContact CD1-CD1 4.11Å; L129-L133 HydrophobicContact CD1-CG 4.02Å; L129-L133 HydrophobicContact CD2-CD1 4.26Å; L129-L133 HydrophobicContact CG-CD1 3.76Å; L129-L133 HydrophobicContact CG-CG 4.08Å; L129-L133 VanDerWaalsContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 3.14Å
130E84.7Confident85Confident114 Ų11487.1 Ų87.153%0.53343%0.432SS..Hα-helixtrans-57.4-50.4177.1-179.6-179-177.400110.5L126 K132 L133 L134L126-E130 VanDerWaalsContact O-CB 3.3Å; L126-E130 WeakPolarHBondContact O-CB 3.28Å; L126-E130 PolarHBondContact O-N 3.07Å; E130-K132 VanDerWaalsContact C-N 3.32Å; E130-K132 PolarHBondContact O-N 3.49Å; E130-L133 PolarHBondContact O-N 2.9Å; E130-L134 HydrophobicContact CG-CD1 3.92Å; E130-L134 HydrophobicContact CG-CG 4.42Å; E130-L134 WeakPolarHBondContact O-CB 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.4Å; E130-L134 PolarHBondContact O-N 3.4Å
131K82.5Confident85.4Confident120 Ų12090 Ų9052%0.52244%0.438SS..Hα-helixtrans-56.8-46.3176.3-172.9177.1178.6179.60111.3Y127 W135Y127-K131 WeakPolarHBondContact O-CB 3.48Å; Y127-K131 PolarHBondContact O-N 3.22Å; K131-W135 VanDerWaalsContact O-CB 3.24Å; K131-W135 WeakPolarHBondContact O-CB 3.36Å; K131-W135 PolarHBondContact O-N 2.88Å
132K84.9Confident85.8Confident123 Ų12382.3 Ų82.354%0.53540%0.403SS..Hα-helixtrans-67-39.6177.7-76.1176.5-178.9175.50113S128 L129 E130 W135 C136S128-K132 WeakPolarHBondContact O-CB 3.33Å; S128-K132 VanDerWaalsContact O-CG 3.28Å; S128-K132 WeakPolarHBondContact O-CG 3.27Å; S128-K132 PolarHBondContact O-N 3.35Å; S128-K132 VanDerWaalsContact O-N 3.09Å; L129-K132 CarbonylContact O-C 3.52Å; L129-K132 PolarHBondContact O-N 3.04Å; E130-K132 VanDerWaalsContact C-N 3.32Å; E130-K132 PolarHBondContact O-N 3.49Å; K132-W135 PolarHBondContact O-N 3.01Å; K132-C136 WeakPolarHBondContact O-CB 3.39Å; K132-C136 PolarHBondContact O-N 3.42Å; K132-C136 PolarHBondContact O-SG 2.9Å
133L88.5Confident86.1Confident101 Ų10179.1 Ų79.153%0.52939%0.388SS..Hα-helixtrans-69.2-44.4179.9-75.8178.1000111.2L129 E130 W135 C136 A137L129-L133 HydrophobicContact CD1-CD1 4.11Å; L129-L133 HydrophobicContact CD1-CG 4.02Å; L129-L133 HydrophobicContact CD2-CD1 4.26Å; L129-L133 HydrophobicContact CG-CD1 3.76Å; L129-L133 HydrophobicContact CG-CG 4.08Å; L129-L133 VanDerWaalsContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 3.14Å; E130-L133 PolarHBondContact O-N 2.9Å; L133-W135 VanDerWaalsContact C-N 3.3Å; L133-W135 PolarHBondContact O-N 3.07Å; L133-C136 PolarHBondContact O-N 3.13Å; L133-A137 WeakPolarHBondContact O-CB 3.4Å; L133-A137 PolarHBondContact O-N 3.24Å
134L88.4Confident86.5Confident111 Ų11176.6 Ų76.658%0.58138%0.378SS*.Hα-helixtrans-61.8-40.8174-72.7173.2000111E130 A137 Y138E130-L134 HydrophobicContact CG-CD1 3.92Å; E130-L134 HydrophobicContact CG-CG 4.42Å; E130-L134 WeakPolarHBondContact O-CB 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.4Å; E130-L134 PolarHBondContact O-N 3.4Å; L134-A137 PolarHBondContact O-N 3.4Å; L134-Y138 WeakPolarHBondContact O-CB 3.43Å; L134-Y138 PolarHBondContact O-N 2.79Å
135W88.5Confident86.7Confident59 Ų5973.5 Ų73.522%0.22337%0.367CS..Hα-helixtrans-62.2-48.3174.4-170.3-113.2000112.3K131 K132 L133 A137 Y138 W139 P183 E257K131-W135 VanDerWaalsContact O-CB 3.24Å; K131-W135 WeakPolarHBondContact O-CB 3.36Å; K131-W135 PolarHBondContact O-N 2.88Å; K132-W135 PolarHBondContact O-N 3.01Å; L133-W135 VanDerWaalsContact C-N 3.3Å; L133-W135 PolarHBondContact O-N 3.07Å; W135-A137 PolarHBondContact O-N 2.76Å; W135-Y138 WeakPolarHBondContact O-CB 3.19Å; W135-Y138 PolarHBondContact O-N 3.06Å; W135-W139 AromaticContact CD1-CD1 4Å; W135-W139 AromaticContact CD2-NE1 3.88Å; W135-W139 AromaticContact CE2-CD1 3.82Å; W135-W139 AromaticContact CE2-NE1 3.24Å; W135-W139 AromaticContact CH2-NE1 3.99Å; W135-W139 HydrophobicContact CZ2-CZ2 4.42Å; W135-W139 AromaticContact CZ2-NE1 3.31Å; W135-W139 VanDerWaalsContact CZ2-NE1 3.31Å; W135-W139 AromaticContact NE1-CD1 3.76Å; W135-W139 AromaticContact NE1-NE1 3.49Å; W135-W139 VanDerWaalsContact O-CD1 3.22Å; W135-W139 PolarHBondContact O-N 2.67Å; W135-W139 VanDerWaalsContact O-N 3.14Å; W135-P183 VanDerWaalsContact CH2-O 3.25Å; W135-P183 WeakPolarHBondContact CH2-O 3.23Å; W135-E257 HydrophobicContact CZ2-CG 4.32Å; W135-E257 PolarHBondContact NE1-OE1 3.07Å
136C91.7Very high86.6Confident21 Ų2168.8 Ų68.814%0.14234%0.338CS..Hα-helixtrans-60.9-44.4175.2-73.10000112.2K132 L133 Y138 W139 L140 M260K132-C136 WeakPolarHBondContact O-CB 3.39Å; K132-C136 PolarHBondContact O-N 3.42Å; K132-C136 PolarHBondContact O-SG 2.9Å; L133-C136 PolarHBondContact O-N 3.13Å; C136-Y138 VanDerWaalsContact C-N 3.33Å; C136-Y138 PolarHBondContact O-N 3.46Å; C136-W139 PolarHBondContact O-N 3.27Å; C136-L140 VanDerWaalsContact O-CB 3.3Å; C136-L140 WeakPolarHBondContact O-CB 3.37Å; C136-L140 PolarHBondContact O-N 3.17Å; C136-M260 HydrophobicContact CB-CG 3.91Å; C136-M260 HydrophobicContact CB-SD 3.98Å
137A91.8Very high86.3Confident41 Ų4167.8 Ų67.834%0.33933%0.334SS..Hα-helixtrans-63.2-40.8179.100000111.1L133 L134 W135 L140 I141L133-A137 WeakPolarHBondContact O-CB 3.4Å; L133-A137 PolarHBondContact O-N 3.24Å; L134-A137 PolarHBondContact O-N 3.4Å; W135-A137 PolarHBondContact O-N 2.76Å; A137-L140 PolarHBondContact O-N 3.29Å; A137-I141 WeakPolarHBondContact O-CB 3.33Å; A137-I141 WeakPolarHBondContact O-CG1 3.23Å; A137-I141 PolarHBondContact O-N 3.11Å
138Y90.8Very high85.6Confident114 Ų11465.7 Ų65.745%0.44733%0.332SS..Hα-helixtrans-57-51.9173.7174.2-101.3000111.6L134 W135 C136 L140 I141 L142L134-Y138 WeakPolarHBondContact O-CB 3.43Å; L134-Y138 PolarHBondContact O-N 2.79Å; W135-Y138 WeakPolarHBondContact O-CB 3.19Å; W135-Y138 PolarHBondContact O-N 3.06Å; C136-Y138 VanDerWaalsContact C-N 3.33Å; C136-Y138 PolarHBondContact O-N 3.46Å; Y138-L140 PolarHBondContact O-N 3.2Å; Y138-I141 PolarHBondContact O-N 3.34Å; Y138-L142 HydrophobicContact CD1-CD1 3.98Å; Y138-L142 HydrophobicContact CE1-CD1 3.37Å; Y138-L142 HydrophobicContact CE1-CG 4.28Å; Y138-L142 HydrophobicContact CE2-CD1 4.09Å; Y138-L142 HydrophobicContact CE2-CG 4.26Å; Y138-L142 VanDerWaalsContact CZ-CD1 3.44Å; Y138-L142 WeakPolarHBondContact O-CB 3.34Å; Y138-L142 WeakPolarHBondContact O-CG 3.25Å; Y138-L142 PolarHBondContact O-N 2.91Å
139W91.8Very high84.4Confident9 Ų963.9 Ų63.93%0.03432%0.322CS..Hα-helixtrans-64.8-36.9178.3-76.8106.9000113.2W135 C136 L142 G143 L161 H164 E257 M260 W261W135-W139 AromaticContact CD1-CD1 4Å; W135-W139 AromaticContact CD2-NE1 3.88Å; W135-W139 AromaticContact CE2-CD1 3.82Å; W135-W139 AromaticContact CE2-NE1 3.24Å; W135-W139 AromaticContact CH2-NE1 3.99Å; W135-W139 HydrophobicContact CZ2-CZ2 4.42Å; W135-W139 AromaticContact CZ2-NE1 3.31Å; W135-W139 VanDerWaalsContact CZ2-NE1 3.31Å; W135-W139 AromaticContact NE1-CD1 3.76Å; W135-W139 AromaticContact NE1-NE1 3.49Å; W135-W139 VanDerWaalsContact O-CD1 3.22Å; W135-W139 PolarHBondContact O-N 2.67Å; W135-W139 VanDerWaalsContact O-N 3.14Å; C136-W139 PolarHBondContact O-N 3.27Å; W139-L142 HydrophobicContact CE3-CD1 4.32Å; W139-L142 HydrophobicContact CZ3-CD1 4.42Å; W139-G143 PolarHBondContact O-N 2.9Å; W139-L161 HydrophobicContact CE3-CD1 4.23Å; W139-L161 HydrophobicContact CH2-CD1 4.12Å; W139-L161 HydrophobicContact CZ3-CB 4.08Å; W139-L161 HydrophobicContact CZ3-CD1 3.72Å; W139-H164 HydrophobicContact CH2-CB 3.7Å; W139-H164 AromaticContact CH2-CG 3.76Å; W139-H164 HydrophobicContact CZ2-CB 4.09Å; W139-H164 AromaticContact CZ2-CD2 3.88Å; W139-H164 AromaticContact CZ2-CG 3.65Å; W139-H164 AromaticContact CZ2-ND1 3.79Å; W139-E257 HydrophobicContact CD2-CB 3.87Å; W139-E257 HydrophobicContact CD2-CG 4.24Å; W139-E257 HydrophobicContact CE3-CB 4.48Å; W139-E257 HydrophobicContact CG-CB 4.07Å; W139-E257 HydrophobicContact CG-CG 4.28Å; W139-E257 HydrophobicContact CZ2-CB 4.17Å; W139-E257 HydrophobicContact CZ2-CG 4.16Å; W139-E257 VanDerWaalsContact NE1-CG 3.25Å; W139-M260 HydrophobicContact CB-CB 3.8Å; W139-W261 HydrophobicContact CE3-CB 4.32Å; W139-W261 AromaticContact CE3-CE3 3.82Å; W139-W261 HydrophobicContact CE3-CE3 3.82Å; W139-W261 AromaticContact CZ3-CE3 3.93Å; W139-W261 HydrophobicContact CZ3-CE3 3.93Å; W139-W261 HydrophobicContact CZ3-CZ3 4.4Å; W139-W261 WeakPolarHBondContact O-CA 3.45Å
140L92.8Very high82.8Confident54 Ų5461.6 Ų61.628%0.28331%0.309SS..Hα-helixtrans-66.5-46.5175.9-174.2149.6000111.6C136 A137 Y138 G143 V144 M260 G264 L267C136-L140 VanDerWaalsContact O-CB 3.3Å; C136-L140 WeakPolarHBondContact O-CB 3.37Å; C136-L140 PolarHBondContact O-N 3.17Å; A137-L140 PolarHBondContact O-N 3.29Å; Y138-L140 PolarHBondContact O-N 3.2Å; L140-G143 WeakPolarHBondContact O-CA 3.48Å; L140-G143 PolarHBondContact O-N 2.97Å; L140-G143 VanDerWaalsContact O-N 3.16Å; L140-V144 HydrophobicContact CD2-CG2 4.21Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 3.05Å; L140-M260 WeakPolarHBondContact CA-O 3.37Å; L140-G264 WeakPolarHBondContact O-CA 3.4Å; L140-L267 HydrophobicContact CD1-CD1 4.28Å; L140-L267 HydrophobicContact CD2-CD1 4.15Å; L140-L267 HydrophobicContact CG-CD1 4.38Å
141I89.1Confident81.3Confident95 Ų9558 Ų5849%0.48730%0.303SS..Hα-helixtrans-63.3-44.7177.4-70.8166.4000110.4A137 Y138 G143 V144 L145A137-I141 WeakPolarHBondContact O-CB 3.33Å; A137-I141 WeakPolarHBondContact O-CG1 3.23Å; A137-I141 PolarHBondContact O-N 3.11Å; Y138-I141 PolarHBondContact O-N 3.34Å; I141-G143 VanDerWaalsContact C-N 3.25Å; I141-G143 PolarHBondContact O-N 3.15Å; I141-V144 PolarHBondContact O-N 2.96Å; I141-V144 VanDerWaalsContact O-N 3.14Å; I141-L145 HydrophobicContact CG2-CD1 3.84Å; I141-L145 HydrophobicContact CG2-CG 4.2Å; I141-L145 WeakPolarHBondContact O-CB 3.1Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.24Å; I141-L145 PolarHBondContact O-N 3.11Å
142L86.7Confident79.9Confident21 Ų2156.3 Ų56.311%0.1130%0.302CS..Hα-helixtrans-57.5-40.6173.4-77.3-176.9000111.8Y138 W139 S146 Y160 W261Y138-L142 HydrophobicContact CD1-CD1 3.98Å; Y138-L142 HydrophobicContact CE1-CD1 3.37Å; Y138-L142 HydrophobicContact CE1-CG 4.28Å; Y138-L142 HydrophobicContact CE2-CD1 4.09Å; Y138-L142 HydrophobicContact CE2-CG 4.26Å; Y138-L142 VanDerWaalsContact CZ-CD1 3.44Å; Y138-L142 WeakPolarHBondContact O-CB 3.34Å; Y138-L142 WeakPolarHBondContact O-CG 3.25Å; Y138-L142 PolarHBondContact O-N 2.91Å; W139-L142 HydrophobicContact CE3-CD1 4.32Å; W139-L142 HydrophobicContact CZ3-CD1 4.42Å; L142-S146 WeakPolarHBondContact O-CB 3.3Å; L142-S146 PolarHBondContact O-N 3.46Å; L142-Y160 HydrophobicContact CD1-CD1 4.23Å; L142-Y160 HydrophobicContact CD1-CG 4.49Å; L142-Y160 HydrophobicContact CD2-CD1 4.34Å; L142-Y160 HydrophobicContact CD2-CE1 4.27Å; L142-W261 HydrophobicContact CB-CE3 3.87Å; L142-W261 HydrophobicContact CB-CZ3 3.66Å; L142-W261 HydrophobicContact CD1-CZ3 4.3Å
143G88.6Confident78.5Confident0 Ų050.7 Ų50.70%028%0.28CS..Hα-helixtrans-61.1-45.8173.300000112.9W139 L140 I141 S146 W261 T265W139-G143 PolarHBondContact O-N 2.9Å; L140-G143 WeakPolarHBondContact O-CA 3.48Å; L140-G143 PolarHBondContact O-N 2.97Å; L140-G143 VanDerWaalsContact O-N 3.16Å; I141-G143 VanDerWaalsContact C-N 3.25Å; I141-G143 PolarHBondContact O-N 3.15Å; G143-S146 WeakPolarHBondContact O-CB 3.26Å; G143-S146 PolarHBondContact O-N 2.92Å; G143-S146 PolarHBondContact O-OG 2.79Å; G143-W261 WeakPolarHBondContact CA-O 3.25Å; G143-T265 PolarHBondContact O-N 3.38Å
144V86.8Confident77.3Confident34 Ų3451.2 Ų51.221%0.20628%0.282CS..Hα-helixtrans-63.1-48.1177.1173.10000111.1L140 I141 S146 S147 I148 G264 L267L140-V144 HydrophobicContact CD2-CG2 4.21Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 3.05Å; I141-V144 PolarHBondContact O-N 2.96Å; I141-V144 VanDerWaalsContact O-N 3.14Å; V144-S146 PolarHBondContact O-N 3.08Å; V144-S147 PolarHBondContact O-N 3.31Å; V144-I148 HydrophobicContact CG1-CD1 3.69Å; V144-I148 HydrophobicContact CG1-CG1 4.39Å; V144-I148 WeakPolarHBondContact O-CG1 3.47Å; V144-I148 PolarHBondContact O-N 3.13Å; V144-G264 WeakPolarHBondContact CA-O 3.31Å; V144-G264 VanDerWaalsContact CG2-O 3.32Å; V144-G264 WeakPolarHBondContact CG2-O 3.36Å; V144-G264 PolarHBondContact N-O 3.11Å; V144-L267 HydrophobicContact CG2-CB 4Å
145L81.9Confident76.2Confident98 Ų9848.6 Ų48.651%0.51327%0.267SS..Hα-helixtrans-59.9-32.7177.8-70.3175.2000111.8I141 S147 I148 G149I141-L145 HydrophobicContact CG2-CD1 3.84Å; I141-L145 HydrophobicContact CG2-CG 4.2Å; I141-L145 WeakPolarHBondContact O-CB 3.1Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.24Å; I141-L145 PolarHBondContact O-N 3.11Å; L145-S147 PolarHBondContact O-N 3.2Å; L145-I148 PolarHBondContact O-N 2.97Å; L145-G149 PolarHBondContact O-N 3.13Å
146S79.3Confident75.6Confident1 Ų146.4 Ų46.41%0.00726%0.26CS..Hα-helixtrans-62.7-31.4176.8830000113.7L142 G143 V144 T265L142-S146 WeakPolarHBondContact O-CB 3.3Å; L142-S146 PolarHBondContact O-N 3.46Å; G143-S146 WeakPolarHBondContact O-CB 3.26Å; G143-S146 PolarHBondContact O-N 2.92Å; G143-S146 PolarHBondContact O-OG 2.79Å; V144-S146 PolarHBondContact O-N 3.08Å; S146-T265 WeakPolarHBondContact OG-CG2 3.18Å
147S76.3Confident75.1Confident15 Ų1545.9 Ų45.911%0.10526%0.255CS..Hα-helixtrans-81.5-43.4177.3-54.20000111.6V144 L145 G149 T265 G268V144-S147 PolarHBondContact O-N 3.31Å; L145-S147 PolarHBondContact O-N 3.2Å; S147-G149 PolarHBondContact O-N 3.23Å; S147-T265 WeakPolarHBondContact OG-CA 3.49Å; S147-T265 PolarHBondContact OG-O 2.86Å; S147-G268 VanDerWaalsContact CB-C 3.48Å
148I67.3Low74.3Confident111 Ų11149 Ų4957%0.56927%0.266SS*.Hα-helixtrans-64.9-41-177.4-62.8170.2000111.5V144 L145V144-I148 HydrophobicContact CG1-CD1 3.69Å; V144-I148 HydrophobicContact CG1-CG1 4.39Å; V144-I148 WeakPolarHBondContact O-CG1 3.47Å; V144-I148 PolarHBondContact O-N 3.13Å; L145-I148 PolarHBondContact O-N 2.97Å
149G55.7Low73.5Confident16 Ų1646.2 Ų46.217%0.16526%0.258CS..Hα-helixtrans-88.8-15.6-167.300000115.9L145 S147 M445L145-G149 PolarHBondContact O-N 3.13Å; S147-G149 PolarHBondContact O-N 3.23Å; G149-M445 WeakPolarHBondContact O-CE 3.49Å
150F51.7Low73Confident36 Ų3650 Ų5016%0.15827%0.273CS..Hα-helixtrans-144.6-13.8-163.5-89.4-90.7000117.5T152 H155 V442 M445F150-T152 PolarHBondContact O-N 3.24Å; F150-T152 PolarHBondContact O-OG1 2.91Å; F150-H155 AromaticContact CE1-ND1 3.71Å; F150-V442 HydrophobicContact CE2-CG1 4.35Å; F150-V442 HydrophobicContact CE2-CG2 4.19Å; F150-V442 HydrophobicContact CZ-CB 4.31Å; F150-V442 HydrophobicContact CZ-CG2 3.78Å; F150-M445 HydrophobicContact CD1-CE 3.22Å; F150-M445 HydrophobicContact CD1-SD 3.8Å; F150-M445 HydrophobicContact CD2-CE 3.96Å; F150-M445 HydrophobicContact CE1-CE 3.13Å; F150-M445 HydrophobicContact CE1-CG 4.39Å; F150-M445 HydrophobicContact CE1-SD 3.03Å; F150-M445 WeakPolarHBondContact CE1-SD 3.27Å; F150-M445 HydrophobicContact CE2-CB 3.97Å; F150-M445 HydrophobicContact CE2-CE 3.83Å; F150-M445 HydrophobicContact CE2-SD 4.1Å; F150-M445 HydrophobicContact CG-CE 3.65Å; F150-M445 HydrophobicContact CZ-CB 3.81Å; F150-M445 HydrophobicContact CZ-CE 3.42Å; F150-M445 VanDerWaalsContact CZ-CE 3.42Å; F150-M445 HydrophobicContact CZ-CG 4.01Å; F150-M445 HydrophobicContact CZ-SD 3.18Å; F150-M445 WeakPolarHBondContact CZ-SD 3.37Å
151G52Low72.7Confident39 Ų3947.5 Ų47.540%0.40226%0.26SS..SBendtrans58.4-16.9-176.600000115.7N338G151-N338 WeakPolarHBondContact O-CB 3.25Å; G151-N338 PolarHBondContact O-ND2 3.28Å
152T53.5Low72.4Confident83 Ų8343.2 Ų43.251%0.50924%0.24SC..  trans-124.575.2-173.156.20000107.2F150 L154 H155F150-T152 PolarHBondContact O-N 3.24Å; F150-T152 PolarHBondContact O-OG1 2.91Å; T152-L154 PolarHBondContact O-N 3.01Å; T152-H155 PolarHBondContact O-N 3.35Å
153G56.3Low72.2Confident6 Ų644.7 Ų44.76%0.06225%0.251CS..Hα-helixtrans-57.1-6.2-177.300000114.9F157 N338G153-F157 WeakPolarHBondContact O-CB 3.5Å; G153-F157 PolarHBondContact O-N 2.9Å; G153-N338 PolarHBondContact N-ND2 3.47Å
154L61.8Low72Confident111 Ų11145.7 Ų45.758%0.58126%0.255SS*.Hα-helixtrans-63.7-41169.7-171.270.1000112.4T152 F157 L158T152-L154 PolarHBondContact O-N 3.01Å; L154-F157 PolarHBondContact O-N 3.18Å; L154-L158 WeakPolarHBondContact O-CG 3.2Å; L154-L158 PolarHBondContact O-N 3.43Å; L154-L158 VanDerWaalsContact O-N 3.08Å
155H66.6Low72Confident57 Ų5744.1 Ų44.126%0.26425%0.245SC..Hα-helixtrans-68.1-46.9-178.2-174.2-107.2000110.8F150 T152 F157 L158 L159F150-H155 AromaticContact CE1-ND1 3.71Å; T152-H155 PolarHBondContact O-N 3.35Å; H155-F157 VanDerWaalsContact C-N 3.34Å; H155-F157 PolarHBondContact O-N 2.85Å; H155-L158 PolarHBondContact O-N 2.79Å; H155-L159 VanDerWaalsContact CE1-CD1 3.44Å; H155-L159 WeakPolarHBondContact CE1-CD1 3.34Å; H155-L159 WeakPolarHBondContact O-CG 2.99Å; H155-L159 PolarHBondContact O-N 2.91Å; H155-L159 VanDerWaalsContact O-N 3.15Å
156T74.8Confident71.9Confident12 Ų1239.6 Ų39.67%0.07422%0.222CC..Hα-helixtrans-67-35.6177.7-11.60000112L159 Y160 W261T156-L159 PolarHBondContact O-N 3.02Å; T156-Y160 HydrophobicContact CG2-CD2 3.9Å; T156-Y160 HydrophobicContact CG2-CE2 3.92Å; T156-Y160 WeakPolarHBondContact O-CD2 3.37Å; T156-Y160 PolarHBondContact O-N 2.76Å; T156-Y160 VanDerWaalsContact O-N 3.13Å; T156-W261 HydrophobicContact CG2-CH2 4.07Å; T156-W261 WeakPolarHBondContact O-CH2 3.3Å
157F81.6Confident71.8Confident10 Ų1040.4 Ų40.44%0.04423%0.229CC..Iπ-helixtrans-56.9-49170.9170.8-96000111.4G153 L154 H155 L159 L161 G162 I165 Q374 V378G153-F157 WeakPolarHBondContact O-CB 3.5Å; G153-F157 PolarHBondContact O-N 2.9Å; L154-F157 PolarHBondContact O-N 3.18Å; H155-F157 VanDerWaalsContact C-N 3.34Å; H155-F157 PolarHBondContact O-N 2.85Å; F157-L159 PolarHBondContact O-N 3.43Å; F157-L161 HydrophobicContact CD2-CB 3.89Å; F157-L161 HydrophobicContact CD2-CD2 3.83Å; F157-L161 HydrophobicContact CD2-CG 4.11Å; F157-L161 HydrophobicContact CE2-CB 4.1Å; F157-L161 HydrophobicContact CE2-CD2 3.73Å; F157-L161 HydrophobicContact CE2-CG 3.9Å; F157-L161 PolarHBondContact O-N 2.99Å; F157-G162 PolarHBondContact O-N 3.45Å; F157-I165 HydrophobicContact CE2-CD1 4.38Å; F157-Q374 HydrophobicContact CE1-CB 4.4Å; F157-Q374 HydrophobicContact CE2-CB 3.78Å; F157-Q374 HydrophobicContact CE2-CG 4.45Å; F157-Q374 HydrophobicContact CZ-CB 3.72Å; F157-Q374 HydrophobicContact CZ-CG 4.44Å; F157-V378 HydrophobicContact CE1-CG2 3.87Å; F157-V378 HydrophobicContact CZ-CG2 3.65Å
158L75.2Confident72.2Confident107 Ų10739.9 Ų39.956%0.5623%0.225SC*.Iπ-helixtrans-66.3-20179.4-71.2173.5000113.6L154 H155 P163L154-L158 WeakPolarHBondContact O-CG 3.2Å; L154-L158 PolarHBondContact O-N 3.43Å; L154-L158 VanDerWaalsContact O-N 3.08Å; H155-L158 PolarHBondContact O-N 2.79Å; L158-P163 WeakPolarHBondContact O-CD 3.21Å; L158-P163 VanDerWaalsContact O-CG 3.25Å; L158-P163 WeakPolarHBondContact O-CG 3.38Å
159L73.4Confident72.9Confident55 Ų5534.6 Ų34.629%0.28820%0.198SC..Iπ-helixtrans-88.8-32.8-180-74.8170.9000114.4H155 T156 F157 I438 V442H155-L159 VanDerWaalsContact CE1-CD1 3.44Å; H155-L159 WeakPolarHBondContact CE1-CD1 3.34Å; H155-L159 WeakPolarHBondContact O-CG 2.99Å; H155-L159 PolarHBondContact O-N 2.91Å; H155-L159 VanDerWaalsContact O-N 3.15Å; T156-L159 PolarHBondContact O-N 3.02Å; F157-L159 PolarHBondContact O-N 3.43Å; L159-I438 HydrophobicContact CD1-CG2 3.82Å; L159-I438 HydrophobicContact CD2-CG2 3.44Å; L159-I438 VanDerWaalsContact CD2-CG2 3.44Å; L159-I438 HydrophobicContact CG-CG2 4.16Å; L159-V442 HydrophobicContact CD1-CG2 3.76Å
160Y81.3Confident73.9Confident89 Ų8934.3 Ų34.335%0.34919%0.193SC..Iπ-helixtrans-120.2-65.7-172.5-63.8-82.6000112.1L142 T156 H164 W261L142-Y160 HydrophobicContact CD1-CD1 4.23Å; L142-Y160 HydrophobicContact CD1-CG 4.49Å; L142-Y160 HydrophobicContact CD2-CD1 4.34Å; L142-Y160 HydrophobicContact CD2-CE1 4.27Å; T156-Y160 HydrophobicContact CG2-CD2 3.9Å; T156-Y160 HydrophobicContact CG2-CE2 3.92Å; T156-Y160 WeakPolarHBondContact O-CD2 3.37Å; T156-Y160 PolarHBondContact O-N 2.76Å; T156-Y160 VanDerWaalsContact O-N 3.13Å; Y160-H164 WeakPolarHBondContact O-CB 3.21Å; Y160-H164 PolarHBondContact O-N 2.94Å; Y160-W261 HydrophobicContact CD2-CH2 4.05Å; Y160-W261 HydrophobicContact CD2-CZ3 4.33Å; Y160-W261 HydrophobicContact CG-CH2 4.31Å; Y160-W261 HydrophobicContact CG-CZ3 4.18Å
161L86.2Confident75Confident1 Ų133.2 Ų33.21%0.00519%0.191CC..Iπ-helixtrans-70.3-40.2-173.7-175.560.9000112.4W139 F157 H164 I165 E257 W261W139-L161 HydrophobicContact CE3-CD1 4.23Å; W139-L161 HydrophobicContact CH2-CD1 4.12Å; W139-L161 HydrophobicContact CZ3-CB 4.08Å; W139-L161 HydrophobicContact CZ3-CD1 3.72Å; F157-L161 HydrophobicContact CD2-CB 3.89Å; F157-L161 HydrophobicContact CD2-CD2 3.83Å; F157-L161 HydrophobicContact CD2-CG 4.11Å; F157-L161 HydrophobicContact CE2-CB 4.1Å; F157-L161 HydrophobicContact CE2-CD2 3.73Å; F157-L161 HydrophobicContact CE2-CG 3.9Å; F157-L161 PolarHBondContact O-N 2.99Å; L161-H164 PolarHBondContact O-N 2.91Å; L161-I165 HydrophobicContact CD1-CD1 4.05Å; L161-I165 HydrophobicContact CD1-CG1 4.24Å; L161-I165 HydrophobicContact CD2-CD1 4.39Å; L161-I165 HydrophobicContact CG-CD1 3.76Å; L161-I165 HydrophobicContact CG-CG1 4.4Å; L161-I165 VanDerWaalsContact O-CG1 3.27Å; L161-I165 WeakPolarHBondContact O-CG1 3.22Å; L161-I165 PolarHBondContact O-N 2.9Å; L161-E257 HydrophobicContact CD1-CB 4.5Å; L161-W261 HydrophobicContact CB-CD2 4.05Å; L161-W261 HydrophobicContact CB-CE3 4.24Å; L161-W261 HydrophobicContact CB-CG 4.38Å; L161-W261 HydrophobicContact CD2-CB 3.98Å; L161-W261 HydrophobicContact CD2-CD2 4.24Å; L161-W261 HydrophobicContact CD2-CG 3.69Å
162G84.2Confident76.3Confident6 Ų631.4 Ų31.46%0.06217%0.171CC..Hα-helixtrans-58.6-54.8178.200000112.9F157 H164 I165 A166F157-G162 PolarHBondContact O-N 3.45Å; G162-H164 VanDerWaalsContact C-N 3.32Å; G162-H164 PolarHBondContact O-N 2.78Å; G162-I165 PolarHBondContact O-N 3.46Å; G162-A166 WeakPolarHBondContact O-CB 3.34Å; G162-A166 PolarHBondContact O-N 2.74Å
163P81.6Confident77.4Confident52 Ų5230.1 Ų30.134%0.33816%0.159SC..Hα-helixtrans-59.6-38.2176.2-28.537.5000113.3L158 A166 A167L158-P163 WeakPolarHBondContact O-CD 3.21Å; L158-P163 VanDerWaalsContact O-CG 3.25Å; L158-P163 WeakPolarHBondContact O-CG 3.38Å; P163-A166 PolarHBondContact O-N 2.7Å; P163-A167 WeakPolarHBondContact O-CB 3.32Å; P163-A167 PolarHBondContact O-N 3.25Å
164H84.5Confident78.1Confident21 Ų2134 Ų3410%0.09718%0.176CC..Hα-helixtrans-61.4-48174.3174.580.6000112W139 Y160 L161 G162 A166 A167 V168 P183W139-H164 HydrophobicContact CH2-CB 3.7Å; W139-H164 AromaticContact CH2-CG 3.76Å; W139-H164 HydrophobicContact CZ2-CB 4.09Å; W139-H164 AromaticContact CZ2-CD2 3.88Å; W139-H164 AromaticContact CZ2-CG 3.65Å; W139-H164 AromaticContact CZ2-ND1 3.79Å; Y160-H164 WeakPolarHBondContact O-CB 3.21Å; Y160-H164 PolarHBondContact O-N 2.94Å; L161-H164 PolarHBondContact O-N 2.91Å; G162-H164 VanDerWaalsContact C-N 3.32Å; G162-H164 PolarHBondContact O-N 2.78Å; H164-A166 VanDerWaalsContact C-N 3.31Å; H164-A166 PolarHBondContact O-N 3.42Å; H164-A167 PolarHBondContact O-N 3.48Å; H164-V168 WeakPolarHBondContact O-CG2 3.28Å; H164-V168 PolarHBondContact O-N 3.46Å; H164-P183 VanDerWaalsContact CE1-CG 3.43Å; H164-P183 WeakPolarHBondContact CE1-CG 3.41Å; H164-P183 WeakPolarHBondContact ND1-CG 3.38Å
165I86.4Confident78.5Confident0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-62.5-41177-65.2163.8000110.7F157 L161 G162 V168 T169 V254 K375 V378 I379F157-I165 HydrophobicContact CE2-CD1 4.38Å; L161-I165 HydrophobicContact CD1-CD1 4.05Å; L161-I165 HydrophobicContact CD1-CG1 4.24Å; L161-I165 HydrophobicContact CD2-CD1 4.39Å; L161-I165 HydrophobicContact CG-CD1 3.76Å; L161-I165 HydrophobicContact CG-CG1 4.4Å; L161-I165 VanDerWaalsContact O-CG1 3.27Å; L161-I165 WeakPolarHBondContact O-CG1 3.22Å; L161-I165 PolarHBondContact O-N 2.9Å; G162-I165 PolarHBondContact O-N 3.46Å; I165-V168 PolarHBondContact O-N 3.07Å; I165-T169 VanDerWaalsContact O-CB 3.3Å; I165-T169 WeakPolarHBondContact O-CB 3.33Å; I165-T169 PolarHBondContact O-N 3.39Å; I165-T169 PolarHBondContact O-OG1 3.19Å; I165-V254 HydrophobicContact CG1-CB 4.34Å; I165-V254 HydrophobicContact CG1-CG1 4.48Å; I165-V254 HydrophobicContact CG1-CG2 4.23Å; I165-K375 HydrophobicContact CD1-CB 3.69Å; I165-V378 HydrophobicContact CB-CB 4.49Å; I165-V378 HydrophobicContact CB-CG1 3.91Å; I165-V378 HydrophobicContact CG2-CB 3.95Å; I165-V378 HydrophobicContact CG2-CG1 3.61Å; I165-I379 HydrophobicContact CG2-CD1 4.27Å; I165-I379 HydrophobicContact CG2-CG1 3.62Å
166A81.3Confident78.8Confident3 Ų329.4 Ų29.43%0.02517%0.166CC..Hα-helixtrans-61.5-44.4176.700000111.7G162 P163 H164 T169 L170 V378 F382 L419G162-A166 WeakPolarHBondContact O-CB 3.34Å; G162-A166 PolarHBondContact O-N 2.74Å; P163-A166 PolarHBondContact O-N 2.7Å; H164-A166 VanDerWaalsContact C-N 3.31Å; H164-A166 PolarHBondContact O-N 3.42Å; A166-T169 PolarHBondContact O-N 3.42Å; A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 2.89Å; A166-V378 HydrophobicContact CB-CG1 4.44Å; A166-F382 HydrophobicContact CB-CD1 4.1Å; A166-F382 HydrophobicContact CB-CD2 3.68Å; A166-F382 HydrophobicContact CB-CE1 3.94Å; A166-F382 HydrophobicContact CB-CE2 3.53Å; A166-F382 HydrophobicContact CB-CG 3.98Å; A166-F382 HydrophobicContact CB-CZ 3.66Å; A166-L419 HydrophobicContact CB-CD2 4.31Å
167A77.3Confident78.8Confident19 Ų1929.8 Ų29.816%0.15717%0.169CC..Hα-helixtrans-63.5-42.9178.300000112.5P163 H164 T169 A171 L419P163-A167 WeakPolarHBondContact O-CB 3.32Å; P163-A167 PolarHBondContact O-N 3.25Å; H164-A167 PolarHBondContact O-N 3.48Å; A167-T169 VanDerWaalsContact C-N 3.35Å; A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 3.11Å; A167-L419 HydrophobicContact CB-CD2 4.08Å
168V83.4Confident78.5Confident4 Ų430.7 Ų30.72%0.02418%0.175CC..Hα-helixtrans-66.9-38.5175.3175.80000111.1H164 I165 A172 F180 P183 K253 V254H164-V168 WeakPolarHBondContact O-CG2 3.28Å; H164-V168 PolarHBondContact O-N 3.46Å; I165-V168 PolarHBondContact O-N 3.07Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.13Å; V168-F180 HydrophobicContact CG1-CE2 4.18Å; V168-F180 HydrophobicContact CG1-CZ 3.91Å; V168-F180 WeakPolarHBondContact O-CZ 3.36Å; V168-P183 HydrophobicContact CG2-CG 4.14Å; V168-K253 HydrophobicContact CG1-CG 4Å; V168-V254 HydrophobicContact CB-CG1 3.74Å; V168-V254 HydrophobicContact CG1-CG1 3.59Å; V168-V254 HydrophobicContact CG2-CG1 3.96Å
169T83.2Confident78.3Confident0 Ų032.1 Ų32.10%018%0.18CC..Hα-helixtrans-63.8-46.8177.9-58.90000111.1I165 A166 A167 A172 F173 I250 I379 F382I165-T169 VanDerWaalsContact O-CB 3.3Å; I165-T169 WeakPolarHBondContact O-CB 3.33Å; I165-T169 PolarHBondContact O-N 3.39Å; I165-T169 PolarHBondContact O-OG1 3.19Å; A166-T169 PolarHBondContact O-N 3.42Å; A167-T169 VanDerWaalsContact C-N 3.35Å; T169-A172 WeakPolarHBondContact O-CB 3.41Å; T169-A172 PolarHBondContact O-N 3.39Å; T169-F173 HydrophobicContact CG2-CD2 3.87Å; T169-F173 HydrophobicContact CG2-CE2 3.67Å; T169-F173 WeakPolarHBondContact O-CD2 3.38Å; T169-F173 PolarHBondContact O-N 3.31Å; T169-F173 VanDerWaalsContact O-N 3.11Å; T169-I250 HydrophobicContact CG2-CD1 4.25Å; T169-I379 HydrophobicContact CG2-CG2 4.18Å; T169-F382 HydrophobicContact CG2-CB 3.85Å
170L75.4Confident78.2Confident10 Ų1030.2 Ų30.25%0.05217%0.169CC..Hα-helixtrans-65.5-46.9179.3-78.3163.3000111.7A166 A172 F173 E174 F382 K416 L419A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 2.89Å; L170-A172 VanDerWaalsContact C-N 3.25Å; L170-A172 PolarHBondContact O-N 3.33Å; L170-F173 PolarHBondContact O-N 3.45Å; L170-F173 VanDerWaalsContact O-N 3.14Å; L170-E174 WeakPolarHBondContact O-CB 3.47Å; L170-E174 WeakPolarHBondContact O-CG 3.18Å; L170-E174 PolarHBondContact O-N 2.8Å; L170-F382 HydrophobicContact CD1-CD1 3.97Å; L170-F382 HydrophobicContact CD1-CE1 4.4Å; L170-F382 HydrophobicContact CG-CD1 4.38Å; L170-K416 HydrophobicContact CD1-CG 4.38Å; L170-K416 HydrophobicContact CD2-CD 4.09Å; L170-K416 HydrophobicContact CD2-CG 3.9Å; L170-L419 HydrophobicContact CD1-CB 4.31Å; L170-L419 HydrophobicContact CD1-CD2 3.32Å; L170-L419 HydrophobicContact CD1-CG 4.39Å
171A74.6Confident77.5Confident13 Ų1328.3 Ų28.311%0.10717%0.168CC..Hα-helixtrans-57.4-38.7174.300000112.3A167 E174 C175 F180 Y185A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 3.11Å; A171-E174 PolarHBondContact O-N 2.83Å; A171-C175 VanDerWaalsContact O-CB 3.29Å; A171-C175 WeakPolarHBondContact O-CB 3.3Å; A171-C175 PolarHBondContact O-N 3.41Å; A171-C175 PolarHBondContact O-SG 3.2Å; A171-C175 VanDerWaalsContact O-SG 3.37Å; A171-F180 HydrophobicContact CB-CD1 4.32Å; A171-F180 HydrophobicContact CB-CD2 3.97Å; A171-F180 HydrophobicContact CB-CE1 4.08Å; A171-F180 HydrophobicContact CB-CE2 3.7Å; A171-F180 HydrophobicContact CB-CG 4.27Å; A171-F180 HydrophobicContact CB-CZ 3.76Å; A171-Y185 WeakPolarHBondContact CB-OH 3.3Å
172A79.6Confident76.6Confident0 Ų032.9 Ų32.90%019%0.189CC..Hα-helixtrans-63-45.7176.200000112.9V168 T169 L170 G176 S177 L178 F180 V245 I250V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.13Å; T169-A172 WeakPolarHBondContact O-CB 3.41Å; T169-A172 PolarHBondContact O-N 3.39Å; L170-A172 VanDerWaalsContact C-N 3.25Å; L170-A172 PolarHBondContact O-N 3.33Å; A172-G176 WeakPolarHBondContact O-CA 3.39Å; A172-G176 PolarHBondContact O-N 3.33Å; A172-S177 WeakPolarHBondContact CA-O 3.35Å; A172-S177 PolarHBondContact O-N 2.93Å; A172-L178 HydrophobicContact CB-CD2 3.59Å; A172-F180 HydrophobicContact CB-CE1 3.89Å; A172-F180 HydrophobicContact CB-CZ 4.18Å; A172-V245 HydrophobicContact CB-CG1 3.95Å; A172-V245 WeakPolarHBondContact O-CG2 3.33Å; A172-I250 HydrophobicContact CB-CD1 4.09Å; A172-I250 HydrophobicContact CB-CG1 3.99Å
173F76.4Confident75.5Confident57 Ų5733.5 Ų33.525%0.2519%0.192CC..Hα-helixtrans-70.2-35177.7-75.9-66.5000112.7T169 L170 V245 I250 S383T169-F173 HydrophobicContact CG2-CD2 3.87Å; T169-F173 HydrophobicContact CG2-CE2 3.67Å; T169-F173 WeakPolarHBondContact O-CD2 3.38Å; T169-F173 PolarHBondContact O-N 3.31Å; T169-F173 VanDerWaalsContact O-N 3.11Å; L170-F173 PolarHBondContact O-N 3.45Å; L170-F173 VanDerWaalsContact O-N 3.14Å; F173-V245 HydrophobicContact CD1-CB 4.46Å; F173-V245 HydrophobicContact CD1-CG1 3.69Å; F173-V245 HydrophobicContact CE1-CB 4.36Å; F173-V245 HydrophobicContact CE1-CG1 3.57Å; F173-V245 HydrophobicContact CE2-CG1 4.39Å; F173-V245 HydrophobicContact CG-CG1 4.15Å; F173-V245 HydrophobicContact CZ-CG1 3.9Å; F173-I250 HydrophobicContact CD2-CD1 4.49Å; F173-I250 HydrophobicContact CE2-CD1 3.78Å; F173-I250 HydrophobicContact CZ-CD1 4.04Å; F173-S383 VanDerWaalsContact CE2-CB 3.46Å; F173-S383 WeakPolarHBondContact CE2-OG 3.47Å; F173-S383 WeakPolarHBondContact CZ-OG 3.18Å
174E71.6Confident74.4Confident88 Ų8836.5 Ų36.541%0.41121%0.211SC..Hα-helixtrans-70.5-47.1177.1-74.6175.6-124.100113L170 A171 G176 H420L170-E174 WeakPolarHBondContact O-CB 3.47Å; L170-E174 WeakPolarHBondContact O-CG 3.18Å; L170-E174 PolarHBondContact O-N 2.8Å; A171-E174 PolarHBondContact O-N 2.83Å; E174-G176 VanDerWaalsContact C-N 3.26Å; E174-G176 PolarHBondContact O-N 3.13Å; E174-H420 IonicContact OE1-CE1 3.49Å; E174-H420 PolarHBondContact OE1-CE1 3.18Å; E174-H420 IonicContact OE1-ND1 3.54Å; E174-H420 PolarHBondContact OE1-ND1 3.03Å; E174-H420 IonicContact OE1-NE2 3.53Å; E174-H420 IonicContact OE2-CE1 2.9Å; E174-H420 IonicContact OE2-ND1 3.85Å
175C70.5Confident73.1Confident23 Ų2337.8 Ų37.816%0.15522%0.216CC..Hα-helixtrans-74.5-19.4178.4-64.20000112.3A171 S177 F180 C197A171-C175 VanDerWaalsContact O-CB 3.29Å; A171-C175 WeakPolarHBondContact O-CB 3.3Å; A171-C175 PolarHBondContact O-N 3.41Å; A171-C175 PolarHBondContact O-SG 3.2Å; A171-C175 VanDerWaalsContact O-SG 3.37Å; C175-S177 PolarHBondContact O-N 3.19Å; C175-F180 HydrophobicContact CB-CD1 4.37Å; C175-C197 WeakPolarHBondContact CA-SG 3.48Å; C175-C197 HydrophobicContact CB-CB 3.67Å; C175-C197 WeakPolarHBondContact CB-SG 3.44Å; C175-C197 WeakPolarHBondContact SG-CB 3.47Å; C175-C197 CovalentContact SG-SG 2.03Å; C175-C197 PolarHBondContact SG-SG 3.28Å
176G72.8Confident71.6Confident48 Ų4840.6 Ų40.650%0.49523%0.234SC..THydrogen-bonded Turntrans61.822.2-169.700000112.7A172 E174A172-G176 WeakPolarHBondContact O-CA 3.39Å; A172-G176 PolarHBondContact O-N 3.33Å; E174-G176 VanDerWaalsContact C-N 3.26Å; E174-G176 PolarHBondContact O-N 3.13Å
177S75Confident70.1Confident19 Ų1946.1 Ų46.113%0.13326%0.263CS..SBendtrans-156.1159.6-171.71780000109.4A172 C175 M179 F180A172-S177 WeakPolarHBondContact CA-O 3.35Å; A172-S177 PolarHBondContact O-N 2.93Å; C175-S177 PolarHBondContact O-N 3.19Å; S177-M179 WeakPolarHBondContact OG-CB 3.42Å; S177-M179 PolarHBondContact OG-N 3.48Å; S177-F180 VanDerWaalsContact O-CD1 3.3Å; S177-F180 WeakPolarHBondContact O-CD1 3.38Å; S177-F180 WeakPolarHBondContact O-CE1 3.28Å
178L74.2Confident68.6Low30 Ų3051.8 Ų51.816%0.15729%0.286CS..SBendtrans-100.53.3170.3-67.3171.2000113.2A172 F180 N249 I250 K253A172-L178 HydrophobicContact CB-CD2 3.59Å; L178-F180 VanDerWaalsContact C-N 3.3Å; L178-F180 HydrophobicContact CD2-CE1 4.15Å; L178-F180 HydrophobicContact CD2-CZ 4.41Å; L178-F180 PolarHBondContact O-N 2.94Å; L178-N249 HydrophobicContact CD1-CB 3.3Å; L178-I250 HydrophobicContact CD2-CG1 4.06Å; L178-K253 HydrophobicContact CD2-CB 4.45Å
179M71.2Confident66.9Low137 Ų13752.2 Ų52.268%0.67529%0.289SS*.  trans-89.765.8179.3-62.4-69.1-70.800110S177 M203S177-M179 WeakPolarHBondContact OG-CB 3.42Å; S177-M179 PolarHBondContact OG-N 3.48Å; M179-M203 HydrophobicContact CB-CE 3.98Å
180F71.1Confident65.2Low14 Ų1453.7 Ų53.76%0.06130%0.298CS..SBendtrans-128.5155.2172.952.5-99.2000109.5V168 A171 A172 C175 S177 L178 Y185 C196V168-F180 HydrophobicContact CG1-CE2 4.18Å; V168-F180 HydrophobicContact CG1-CZ 3.91Å; V168-F180 WeakPolarHBondContact O-CZ 3.36Å; A171-F180 HydrophobicContact CB-CD1 4.32Å; A171-F180 HydrophobicContact CB-CD2 3.97Å; A171-F180 HydrophobicContact CB-CE1 4.08Å; A171-F180 HydrophobicContact CB-CE2 3.7Å; A171-F180 HydrophobicContact CB-CG 4.27Å; A171-F180 HydrophobicContact CB-CZ 3.76Å; A172-F180 HydrophobicContact CB-CE1 3.89Å; A172-F180 HydrophobicContact CB-CZ 4.18Å; C175-F180 HydrophobicContact CB-CD1 4.37Å; S177-F180 VanDerWaalsContact O-CD1 3.3Å; S177-F180 WeakPolarHBondContact O-CD1 3.38Å; S177-F180 WeakPolarHBondContact O-CE1 3.28Å; L178-F180 VanDerWaalsContact C-N 3.3Å; L178-F180 HydrophobicContact CD2-CE1 4.15Å; L178-F180 HydrophobicContact CD2-CZ 4.41Å; L178-F180 PolarHBondContact O-N 2.94Å; F180-Y185 AromaticContact CD2-CE1 3.94Å; F180-Y185 HydrophobicContact CD2-CE1 3.94Å; F180-Y185 HydrophobicContact CE2-CE1 4.46Å; F180-Y185 WeakPolarHBondContact CE2-OH 3.41Å; F180-C196 WeakPolarHBondContact CB-O 3.26Å
181P67.6Low63.8Low49 Ų4960.9 Ų60.932%0.31834%0.336SS..PPolyproline II helixtrans-59.9153.3-179.921.8-31.2000111.7Y185P181-Y185 HydrophobicContact CG-CD1 4.22Å; P181-Y185 WeakPolarHBondContact O-CE1 3.45Å
182E66.4Low62.4Low98 Ų9865.1 Ų65.146%0.45836%0.355SS..PPolyproline II helixtrans-76.2143.7178.5-72.7164.9-177.400110.7K253E182-K253 IonicContact OE1-NZ 3.55Å; E182-K253 PolarHBondContact OE1-NZ 3.45Å
183P62.2Low61.3Low18 Ų1872.7 Ų72.712%0.11739%0.388CS..SBendtrans-67.4148.7177.328.7-35.3000111.3W135 H164 V168 Y185W135-P183 VanDerWaalsContact CH2-O 3.25Å; W135-P183 WeakPolarHBondContact CH2-O 3.23Å; H164-P183 VanDerWaalsContact CE1-CG 3.43Å; H164-P183 WeakPolarHBondContact CE1-CG 3.41Å; H164-P183 WeakPolarHBondContact ND1-CG 3.38Å; V168-P183 HydrophobicContact CG2-CG 4.14Å; P183-Y185 HydrophobicContact CB-CD2 4.25Å; P183-Y185 HydrophobicContact CB-CE2 3.99Å
184P58.3Low60.1Low115 Ų11572.4 Ų72.475%0.74739%0.393SS*.SBendcis-70.7128.14.828.8-33.9000111.8
185Y56.4Low59.3Low48 Ų4871.4 Ų71.419%0.18839%0.393CS..PPolyproline II helixtrans-65.6138.4-180-60.2-71.6000109A171 F180 P181 P183A171-Y185 WeakPolarHBondContact CB-OH 3.3Å; F180-Y185 AromaticContact CD2-CE1 3.94Å; F180-Y185 HydrophobicContact CD2-CE1 3.94Å; F180-Y185 HydrophobicContact CE2-CE1 4.46Å; F180-Y185 WeakPolarHBondContact CE2-OH 3.41Å; P181-Y185 HydrophobicContact CG-CD1 4.22Å; P181-Y185 WeakPolarHBondContact O-CE1 3.45Å; P183-Y185 HydrophobicContact CB-CD2 4.25Å; P183-Y185 HydrophobicContact CB-CE2 3.99Å
186P55.9Low58.7Low60 Ų6071.1 Ų71.139%0.3939%0.391SS..PPolyproline II helixtrans-57.9145.1175.823.8-32.1000109.7E188 C189P186-E188 PolarHBondContact O-N 2.84Å; P186-C189 HydrophobicContact CG-CB 4.48Å; P186-C189 VanDerWaalsContact O-CB 3.25Å; P186-C189 WeakPolarHBondContact O-CB 3.37Å; P186-C189 PolarHBondContact O-N 2.71Å
187D48.9Very low58.1Low119 Ų11970.3 Ų70.364%0.63638%0.377SS*.Hα-helixtrans-54.4-21.2178.7-63.2-39000112.3C189 V190D187-C189 VanDerWaalsContact C-N 3.34Å; D187-C189 PolarHBondContact O-N 3.24Å; D187-V190 WeakPolarHBondContact O-CB 3.29Å; D187-V190 WeakPolarHBondContact O-CG2 3.4Å; D187-V190 PolarHBondContact O-N 3.33Å
188E45.4Very low57.1Low137 Ų13771.2 Ų71.264%0.6438%0.383SS*.Hα-helixtrans-69-27.9174.7-64.8176.7170.700113.6P186 V190 L191 M192P186-E188 PolarHBondContact O-N 2.84Å; E188-V190 PolarHBondContact O-N 3.24Å; E188-L191 PolarHBondContact O-N 3.11Å; E188-M192 PolarHBondContact O-N 3.46Å; E188-M192 VanDerWaalsContact O-N 3.13Å
189C48.3Very low55.9Low13 Ų1372.7 Ų72.79%0.08839%0.394CS..Hα-helixtrans-63.9-29.4173.7-87.20000112.6P186 D187 C196P186-C189 HydrophobicContact CG-CB 4.48Å; P186-C189 VanDerWaalsContact O-CB 3.25Å; P186-C189 WeakPolarHBondContact O-CB 3.37Å; P186-C189 PolarHBondContact O-N 2.71Å; D187-C189 VanDerWaalsContact C-N 3.34Å; D187-C189 PolarHBondContact O-N 3.24Å; C189-C196 HydrophobicContact CB-CB 3.64Å; C189-C196 WeakPolarHBondContact CB-SG 3.24Å; C189-C196 VanDerWaalsContact SG-CA 3.53Å; C189-C196 WeakPolarHBondContact SG-CB 3.44Å; C189-C196 CovalentContact SG-SG 2.03Å; C189-C196 PolarHBondContact SG-SG 3.31Å
190V46.8Very low54.8Low31 Ų3174 Ų7419%0.18840%0.396CS..Hα-helixtrans-65.7-49.2176.3178.40000110D187 E188 M192 S423 D424D187-V190 WeakPolarHBondContact O-CB 3.29Å; D187-V190 WeakPolarHBondContact O-CG2 3.4Å; D187-V190 PolarHBondContact O-N 3.33Å; E188-V190 PolarHBondContact O-N 3.24Å; V190-M192 VanDerWaalsContact C-N 3.3Å; V190-M192 PolarHBondContact O-N 3.26Å; V190-S423 WeakPolarHBondContact CB-O 3.31Å; V190-S423 WeakPolarHBondContact CG1-O 3.44Å; V190-S423 WeakPolarHBondContact CG2-O 3.48Å; V190-D424 HydrophobicContact CG1-CB 4.21Å; V190-D424 WeakPolarHBondContact CG1-OD1 3.48Å
191L46.9Very low53.5Low161 Ų16180.1 Ų80.184%0.84343%0.429SS*.Hα-helixtrans-73.8-25-174.1-13982.1000112.4E188E188-L191 PolarHBondContact O-N 3.11Å
192M45.5Very low52.5Low103 Ų10381.7 Ų81.751%0.50743%0.434SS..  trans-144.694.6-168-150.3168.5144.900110.8E188 V190 S194 V195E188-M192 PolarHBondContact O-N 3.46Å; E188-M192 VanDerWaalsContact O-N 3.13Å; V190-M192 VanDerWaalsContact C-N 3.3Å; V190-M192 PolarHBondContact O-N 3.26Å; M192-S194 WeakPolarHBondContact CE-OG 3.43Å; M192-S194 WeakPolarHBondContact CG-OG 3.38Å; M192-S194 PolarHBondContact O-N 2.74Å; M192-V195 HydrophobicContact CB-CB 4.26Å; M192-V195 HydrophobicContact CB-CG2 3.7Å; M192-V195 HydrophobicContact CE-CG2 4.18Å; M192-V195 HydrophobicContact CG-CG2 3.92Å; M192-V195 WeakPolarHBondContact O-CB 3.4Å; M192-V195 PolarHBondContact O-N 3.26Å; M192-V195 HydrophobicContact SD-CG2 3.86Å
193K55.2Low51.6Low158 Ų15880.6 Ų80.669%0.68743%0.43SS*.Hα-helixtrans-51.3-28.5174.1-74.9-172.9176.6-176.10113.3V195 C197K193-V195 VanDerWaalsContact C-N 3.31Å; K193-V195 PolarHBondContact O-N 2.75Å; K193-C197 CarbonylContact O-C 3.58Å; K193-C197 WeakPolarHBondContact O-CA 3.2Å; K193-C197 WeakPolarHBondContact O-CB 3.16Å; K193-C197 PolarHBondContact O-N 2.96Å
194S51.5Low50.7Low51 Ų5185.3 Ų85.336%0.35745%0.454SS..Hα-helixtrans-73.4-17.7176.755.90000114.4M192 P198M192-S194 WeakPolarHBondContact CE-OG 3.43Å; M192-S194 WeakPolarHBondContact CG-OG 3.38Å; M192-S194 PolarHBondContact O-N 2.74Å; S194-P198 VanDerWaalsContact O-CA 3.32Å; S194-P198 WeakPolarHBondContact O-CA 3.35Å
195V55.7Low49.7Very low68 Ų6885.4 Ų85.441%0.41245%0.447SS..Hα-helixtrans-79.4-43.4173.6174.90000110M192 K193M192-V195 HydrophobicContact CB-CB 4.26Å; M192-V195 HydrophobicContact CB-CG2 3.7Å; M192-V195 HydrophobicContact CE-CG2 4.18Å; M192-V195 HydrophobicContact CG-CG2 3.92Å; M192-V195 WeakPolarHBondContact O-CB 3.4Å; M192-V195 PolarHBondContact O-N 3.26Å; M192-V195 HydrophobicContact SD-CG2 3.86Å; K193-V195 VanDerWaalsContact C-N 3.31Å; K193-V195 PolarHBondContact O-N 2.75Å
196C56.9Low48.6Very low17 Ų1795 Ų9512%0.11548%0.483CS..Hα-helixtrans-78.9-35.4177.8-119.20000113.4F180 C189F180-C196 WeakPolarHBondContact CB-O 3.26Å; C189-C196 HydrophobicContact CB-CB 3.64Å; C189-C196 WeakPolarHBondContact CB-SG 3.24Å; C189-C196 VanDerWaalsContact SG-CA 3.53Å; C189-C196 WeakPolarHBondContact SG-CB 3.44Å; C189-C196 CovalentContact SG-SG 2.03Å; C189-C196 PolarHBondContact SG-SG 3.31Å
197C60.2Low47.6Very low31 Ų3197.4 Ų97.421%0.20949%0.492CS..SBendtrans-125.484.7178.6-52.50000109.2C175 K193C175-C197 WeakPolarHBondContact CA-SG 3.48Å; C175-C197 HydrophobicContact CB-CB 3.67Å; C175-C197 WeakPolarHBondContact CB-SG 3.44Å; C175-C197 WeakPolarHBondContact SG-CB 3.47Å; C175-C197 CovalentContact SG-SG 2.03Å; C175-C197 PolarHBondContact SG-SG 3.28Å; K193-C197 CarbonylContact O-C 3.58Å; K193-C197 WeakPolarHBondContact O-CA 3.2Å; K193-C197 WeakPolarHBondContact O-CB 3.16Å; K193-C197 PolarHBondContact O-N 2.96Å
198P54.2Low46.9Very low37 Ų3798.1 Ų98.124%0.2449%0.494CS..  trans-58.2135179.817.2-25.5000110.4S194 L202 M203S194-P198 VanDerWaalsContact O-CA 3.32Å; S194-P198 WeakPolarHBondContact O-CA 3.35Å; P198-L202 HydrophobicContact CB-CB 4.39Å; P198-M203 HydrophobicContact CB-CG 4.42Å; P198-M203 HydrophobicContact CG-CE 3.64Å; P198-M203 HydrophobicContact CG-CG 4.05Å
199P50.1Low46.2Very low61 Ų6195.6 Ų95.640%0.39649%0.491SS..  trans-50.1144.9179.6-26.431.5000111.1L201 L202 M203P199-L201 PolarHBondContact O-N 2.87Å; P199-L202 HydrophobicContact CG-CD1 4Å; P199-L202 WeakPolarHBondContact O-CA 3.47Å; P199-L202 PolarHBondContact O-N 3.35Å; P199-M203 PolarHBondContact O-N 3.5Å
200K47.3Very low45.4Very low164 Ų16499.4 Ų99.471%0.71352%0.515SS*.THydrogen-bonded Turntrans-47.8-28.8-179.7-68.8179.7178.7175.20114N204K200-N204 PolarHBondContact O-ND2 3.44Å
201L44.8Very low44.9Very low144 Ų144105 Ų10575%0.75454%0.544SS*.THydrogen-bonded Turntrans-75.3-32176-118.882.9000114.2P199 N204P199-L201 PolarHBondContact O-N 2.87Å; L201-N204 PolarHBondContact O-N 3.48Å
202L46.5Very low44.2Very low81 Ų81101.1 Ų101.142%0.42454%0.535SS..THydrogen-bonded Turntrans-81.6-22179.8-89.8160000112.8P198 P199 N204 I207P198-L202 HydrophobicContact CB-CB 4.39Å; P199-L202 HydrophobicContact CG-CD1 4Å; P199-L202 WeakPolarHBondContact O-CA 3.47Å; P199-L202 PolarHBondContact O-N 3.35Å; L202-N204 VanDerWaalsContact C-N 3.28Å; L202-I207 HydrophobicContact CD2-CD1 3.61Å
203M45.7Very low43.5Very low76 Ų76104 Ų10437%0.37455%0.549SS..THydrogen-bonded Turntrans-71.9-22.7167.9-73.5-169.817700112.7M179 P198 P199M179-M203 HydrophobicContact CB-CE 3.98Å; P198-M203 HydrophobicContact CB-CG 4.42Å; P198-M203 HydrophobicContact CG-CE 3.64Å; P198-M203 HydrophobicContact CG-CG 4.05Å; P199-M203 PolarHBondContact O-N 3.5Å
204N43.8Very low42.4Very low116 Ų116106.3 Ų106.362%0.6256%0.56SS**THydrogen-bonded Turntrans-79-20.5178.5-65.6-31.1000113.1K200 L201 L202K200-N204 PolarHBondContact O-ND2 3.44Å; L201-N204 PolarHBondContact O-N 3.48Å; L202-N204 VanDerWaalsContact C-N 3.28Å
205L38.1Very low41.5Very low117 Ų117111.4 Ų111.461%0.61358%0.583SS**THydrogen-bonded Turntrans-93.9129.2163.1-98.970.2000106.8I207L205-I207 HydrophobicContact CB-CG1 4.44Å; L205-I207 PolarHBondContact O-N 3.01Å
206R32.5Very low40.2Very low249 Ų249116.9 Ų116.994%0.9460%0.604SS**THydrogen-bonded Turntrans-59.980.7168.9-76.5178.9-178.5170.8-0.1110.3
207I35.4Very low39.1Very low111 Ų111123 Ų12357%0.56964%0.636SS**  trans-97.895.6158.9-55.6-167.5000105.2L202 L205 C209L202-I207 HydrophobicContact CD2-CD1 3.61Å; L205-I207 HydrophobicContact CB-CG1 4.44Å; L205-I207 PolarHBondContact O-N 3.01Å; I207-C209 PolarHBondContact O-N 3.42Å
208I34.6Very low37.6Very low134 Ų134127.6 Ų127.669%0.68767%0.665SS**  trans-36.4117.9159.8-63.1160.1000107P210I208-P210 VanDerWaalsContact O-N 3.16Å
209C29.4Very low36.6Very low84 Ų84130.3 Ų130.357%0.56869%0.69SS**  trans-50.5125.7166.2-66.90000106.6I207 D211I207-C209 PolarHBondContact O-N 3.42Å; C209-D211 PolarHBondContact O-N 2.82Å
210P32.8Very low35.7Very low93 Ų93132.2 Ų132.260%0.60471%0.712SS**SBendtrans-7766.5-169.632.8-35000110.4I208 M213I208-P210 VanDerWaalsContact O-N 3.16Å; P210-M213 HydrophobicContact CB-CB 4.34Å; P210-M213 HydrophobicContact CB-SD 4.47Å
211D34.9Very low34.9Very low148 Ų148133.7 Ų133.779%0.79172%0.723SS**SBendtrans-8610.4162.2-74.6-8.9000110.9C209C209-D211 PolarHBondContact O-N 2.82Å
212A32.6Very low34.3Very low80 Ų80132.4 Ų132.466%0.66173%0.727SS**  trans-123.116.5-176.800000114.1F214A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 3.34Å
213M31.8Very low33.5Very low163 Ų163136.1 Ų136.180%0.80375%0.747SS**  trans-96.446-173.5-154153.6167.600113.4P210P210-M213 HydrophobicContact CB-CB 4.34Å; P210-M213 HydrophobicContact CB-SD 4.47Å
214F32.1Very low32.7Very low207 Ų207142.1 Ų142.191%0.90877%0.771SS**  trans-139.567.9161.7-102.3-84000107.9A212A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 3.34Å
215D31.5Very low32.1Very low158 Ų158142.6 Ų142.685%0.84578%0.783SS**SBendtrans-160.8138.1148.6-111.9-27.6000112.8
216H29.9Very low31.8Very low183 Ų183143.2 Ų143.285%0.84779%0.792SS**  trans-57.1124.2-174.7-84.4-97.6000114.8
217N32.1Very low31.7Very low146 Ų146136.1 Ų136.178%0.78178%0.78SS**  169.5120121.7-119.8-26.4000112.3A219N217-A219 PolarHBondContact O-N 2.9Å
218P28.4Very low31.6Very low128 Ų128136.5 Ų136.583%0.83179%0.787SS**  trans-96.488.5171.834.9-24.8000109.9
219A34.1Very low31.6Very low93 Ų93137.7 Ų137.777%0.76980%0.795SS**  trans-155.25.1173.600000116.9N217N217-A219 PolarHBondContact O-N 2.9Å
220A31Very low32Very low102 Ų102135 Ų13584%0.84378%0.782SS**  trans-128.263.1-174.400000113.3
221M29.8Very low32.3Very low195 Ų195133.7 Ų133.796%0.96178%0.779SS**  trans-105.597.1157.6-96174.173.300108.2
222S32.8Very low32.5Very low117 Ų117131.5 Ų131.582%0.81878%0.775SS**  trans-127.9116163.9-179.60000109.8
223N29.2Very low32.8Very low159 Ų159132.6 Ų132.685%0.8577%0.773SS**  trans-29.7121.5170.6-66.9-29.6000115.4
224K29.8Very low33.1Very low202 Ų202129.8 Ų129.888%0.87876%0.761SS**  trans-136.7101.6149-101.8-179.5-179.9175.10109.3V226K224-V226 PolarHBondContact O-N 3.11Å
225S31.2Very low33.3Very low125 Ų125122.3 Ų122.387%0.87474%0.738SS**  trans-61.8115.9166.449.80000109.7
226V32.1Very low33.5Very low131 Ų131117 Ų11779%0.79472%0.721SS**  trans-92126.5169.5173.40000108.6K224K224-V226 PolarHBondContact O-N 3.11Å
227S30.5Very low33.9Very low99 Ų99112 Ų11269%0.69270%0.702SS**  trans-63.4133.1-176.5-177.60000113N229S227-N229 PolarHBondContact O-N 3.19Å
228V32.8Very low34.1Very low119 Ų119109.4 Ų109.472%0.72169%0.688SS**  trans-9084.7-178-179.10000109.3
229N35.1Very low34.7Very low159 Ų159108.4 Ų108.485%0.8568%0.679SS**  trans-129.817.3170.6-80.1-17.1000113.4S227S227-N229 PolarHBondContact O-N 3.19Å
230G37.6Very low35Very low29 Ų29107.8 Ų107.830%0.29967%0.669SS.*  trans-12323179.900000114.7S232 T233 L234G230-S232 VanDerWaalsContact C-N 3.3Å; G230-S232 PolarHBondContact O-N 2.73Å; G230-T233 PolarHBondContact O-N 3.09Å; G230-L234 WeakPolarHBondContact O-CB 3.48Å; G230-L234 PolarHBondContact O-N 3.07Å
231A38.9Very low35.6Very low65 Ų65109.2 Ų109.254%0.53766%0.663SS.*Hα-helixtrans-63.6-28.7-168.400000114.2A235A231-A235 VanDerWaalsContact O-CB 3.25Å; A231-A235 WeakPolarHBondContact O-CB 3.33Å; A231-A235 PolarHBondContact O-N 2.99Å
232S39.2Very low36.2Very low101 Ų101106 Ų10671%0.70665%0.647SS**Hα-helixtrans-78.9-35.9179.654.60000113.3G230 G236G230-S232 VanDerWaalsContact C-N 3.3Å; G230-S232 PolarHBondContact O-N 2.73Å; S232-G236 PolarHBondContact O-N 3.49Å
233T39.4Very low37.1Very low103 Ų103102.3 Ų102.363%0.63262%0.624SS**Hα-helixtrans-74.8-39.5176.2-31.90000110.9G230 G236 T237G230-T233 PolarHBondContact O-N 3.09Å; T233-G236 PolarHBondContact O-N 3.37Å; T233-T237 PolarHBondContact O-N 3.22Å; T233-T237 VanDerWaalsContact O-N 3.09Å; T233-T237 PolarHBondContact O-OG1 2.85Å
234L37.6Very low38.6Very low105 Ų105100 Ų10055%0.5562%0.616SS.*Hα-helixtrans-63.2-40.4171.3-83.1159.5000111.2G230 G236 T237 L238G230-L234 WeakPolarHBondContact O-CB 3.48Å; G230-L234 PolarHBondContact O-N 3.07Å; L234-G236 VanDerWaalsContact C-N 3.31Å; L234-G236 PolarHBondContact O-N 3.48Å; L234-T237 PolarHBondContact O-N 2.73Å; L234-L238 HydrophobicContact CB-CD1 3.98Å; L234-L238 WeakPolarHBondContact O-CA 3.37Å; L234-L238 WeakPolarHBondContact O-CB 3.22Å; L234-L238 WeakPolarHBondContact O-CD1 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.37Å
235A35.9Very low40.6Very low50 Ų5092.1 Ų92.141%0.41359%0.585SS.*Hα-helixtrans-59.4-39.7174.700000112.6A231 L238 V239A231-A235 VanDerWaalsContact O-CB 3.25Å; A231-A235 WeakPolarHBondContact O-CB 3.33Å; A231-A235 PolarHBondContact O-N 2.99Å; A235-L238 PolarHBondContact O-N 3.22Å; A235-V239 WeakPolarHBondContact O-CB 3.37Å; A235-V239 WeakPolarHBondContact O-CG2 3.46Å; A235-V239 PolarHBondContact O-N 2.84Å
236G36.2Very low43.1Very low47 Ų4787.9 Ų87.949%0.48556%0.555SS.*Hα-helixtrans-67.7-36175.900000114.2S232 T233 L234 S240S232-G236 PolarHBondContact O-N 3.49Å; T233-G236 PolarHBondContact O-N 3.37Å; L234-G236 VanDerWaalsContact C-N 3.31Å; L234-G236 PolarHBondContact O-N 3.48Å; G236-S240 PolarHBondContact O-OG 2.79Å
237T38.2Very low45.6Very low76 Ų7683 Ų8347%0.46652%0.524SS..Hα-helixtrans-81.7-25.5176-39.10000112.9T233 L234 S240 N241T233-T237 PolarHBondContact O-N 3.22Å; T233-T237 VanDerWaalsContact O-N 3.09Å; T233-T237 PolarHBondContact O-OG1 2.85Å; L234-T237 PolarHBondContact O-N 2.73Å; T237-S240 VanDerWaalsContact CA-OG 3.27Å; T237-S240 WeakPolarHBondContact CA-OG 3.32Å; T237-S240 PolarHBondContact O-OG 3.19Å; T237-S240 VanDerWaalsContact O-OG 3.09Å; T237-N241 PolarHBondContact O-N 3.33Å
238L37.3Very low48.2Very low93 Ų9386.8 Ų86.849%0.48752%0.523SS..Hα-helixtrans-78.1-35.1177-74.5161.7000111.3L234 A235 S240 N241 M242L234-L238 HydrophobicContact CB-CD1 3.98Å; L234-L238 WeakPolarHBondContact O-CA 3.37Å; L234-L238 WeakPolarHBondContact O-CB 3.22Å; L234-L238 WeakPolarHBondContact O-CD1 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.37Å; A235-L238 PolarHBondContact O-N 3.22Å; L238-S240 VanDerWaalsContact C-N 3.32Å; L238-N241 PolarHBondContact O-N 3.29Å; L238-M242 WeakPolarHBondContact O-CG 3.25Å; L238-M242 PolarHBondContact O-N 3.18Å
239V40.7Very low50.8Low106 Ų10683.2 Ų83.264%0.64250%0.5SS*.Hα-helixtrans-69.5-29.5173.4170.40000112A235A235-V239 WeakPolarHBondContact O-CB 3.37Å; A235-V239 WeakPolarHBondContact O-CG2 3.46Å; A235-V239 PolarHBondContact O-N 2.84Å
240S38.9Very low53.2Low80 Ų8075.7 Ų75.756%0.55946%0.46SS*.Hα-helixtrans-79-23.6177.732.80000113.9G236 T237 L238G236-S240 PolarHBondContact O-OG 2.79Å; T237-S240 VanDerWaalsContact CA-OG 3.27Å; T237-S240 WeakPolarHBondContact CA-OG 3.32Å; T237-S240 PolarHBondContact O-OG 3.19Å; T237-S240 VanDerWaalsContact O-OG 3.09Å; L238-S240 VanDerWaalsContact C-N 3.32Å
241N44.7Very low55.6Low132 Ų13275.3 Ų75.371%0.70645%0.45SS*.Hα-helixtrans-90-8.1172.4-81-38.5000114T237 L238 A243T237-N241 PolarHBondContact O-N 3.33Å; L238-N241 PolarHBondContact O-N 3.29Å; N241-A243 PolarHBondContact O-N 3.43Å
242M42.7Very low57.9Low128 Ų12874.1 Ų74.163%0.63144%0.438SS*.SBendtrans-75.965.8157.3-65.4-169.378.800108.4L238 T244L238-M242 WeakPolarHBondContact O-CG 3.25Å; L238-M242 PolarHBondContact O-N 3.18Å; M242-T244 VanDerWaalsContact C-N 3.26Å; M242-T244 PolarHBondContact O-N 3.49Å
243A50.8Low60.2Low40 Ų4072.3 Ų72.333%0.33142%0.417SS..  trans-59.297.3172.500000107.1N241 V245N241-A243 PolarHBondContact O-N 3.43Å; A243-V245 PolarHBondContact O-N 3.17Å
244T61.1Low62.6Low111 Ų11167.4 Ų67.468%0.68139%0.388SS*.  trans-45.7130.8172440000107.3M242 S246 N249M242-T244 VanDerWaalsContact C-N 3.26Å; M242-T244 PolarHBondContact O-N 3.49Å; T244-S246 VanDerWaalsContact C-N 3.31Å; T244-S246 PolarHBondContact O-N 3Å; T244-N249 PolarHBondContact O-ND2 2.96Å
245V72.8Confident65.2Low36 Ų3667.7 Ų67.722%0.21838%0.381CS..  trans-58.4102.5179.2-179.20000106.5A172 F173 A243 I250A172-V245 HydrophobicContact CB-CG1 3.95Å; A172-V245 WeakPolarHBondContact O-CG2 3.33Å; F173-V245 HydrophobicContact CD1-CB 4.46Å; F173-V245 HydrophobicContact CD1-CG1 3.69Å; F173-V245 HydrophobicContact CE1-CB 4.36Å; F173-V245 HydrophobicContact CE1-CG1 3.57Å; F173-V245 HydrophobicContact CE2-CG1 4.39Å; F173-V245 HydrophobicContact CG-CG1 4.15Å; F173-V245 HydrophobicContact CZ-CG1 3.9Å; A243-V245 PolarHBondContact O-N 3.17Å; V245-I250 HydrophobicContact CG1-CD1 3.87Å; V245-I250 HydrophobicContact CG1-CG1 4.37Å
246S83.5Confident67.8Low35 Ų3568.9 Ų68.925%0.24538%0.38CS..  trans-124.9148.7-176.776.70000107.8T244 W248 N249 I250T244-S246 VanDerWaalsContact C-N 3.31Å; T244-S246 PolarHBondContact O-N 3Å; S246-W248 PolarHBondContact O-N 2.59Å; S246-W248 VanDerWaalsContact O-N 3.17Å; S246-N249 PolarHBondContact O-N 3.1Å; S246-N249 WeakPolarHBondContact OG-CB 3.39Å; S246-N249 PolarHBondContact OG-N 3.41Å; S246-N249 PolarHBondContact OG-ND2 3.42Å; S246-I250 WeakPolarHBondContact O-CG1 3.38Å; S246-I250 PolarHBondContact O-N 2.89Å
247I84.3Confident70.4Confident28 Ų2867.1 Ų67.114%0.14436%0.36CS..Hα-helixtrans-51.8-41.7177.5-63.1172.4000110.1N249 I250 M251 F376 I379 V380I247-N249 PolarHBondContact O-N 3.21Å; I247-I250 PolarHBondContact O-N 2.96Å; I247-M251 HydrophobicContact CG2-CG 4.15Å; I247-M251 HydrophobicContact CG2-SD 3.83Å; I247-M251 WeakPolarHBondContact O-CB 3.15Å; I247-M251 VanDerWaalsContact O-CG 3.22Å; I247-M251 WeakPolarHBondContact O-CG 3.16Å; I247-M251 PolarHBondContact O-N 3.33Å; I247-F376 HydrophobicContact CG2-CD2 4Å; I247-F376 HydrophobicContact CG2-CE2 4.19Å; I247-I379 HydrophobicContact CB-CG2 4.36Å; I247-I379 HydrophobicContact CG1-CG2 4.24Å; I247-I379 HydrophobicContact CG2-CG2 3.97Å; I247-V380 HydrophobicContact CD1-CG2 3.98Å
248W85.2Confident73Confident179 Ų17963.5 Ų63.568%0.67834%0.337SS*.Hα-helixtrans-63.5-41.5179.8-172-94.8000113.2S246 M251 S252S246-W248 PolarHBondContact O-N 2.59Å; S246-W248 VanDerWaalsContact O-N 3.17Å; W248-M251 PolarHBondContact O-N 2.96Å; W248-S252 WeakPolarHBondContact O-CB 3.34Å; W248-S252 PolarHBondContact O-N 3.19Å; W248-S252 PolarHBondContact O-OG 2.78Å
249N86.1Confident75.7Confident45 Ų4561.3 Ų61.324%0.24133%0.326CS..Hα-helixtrans-69.8-38.8179.4-63.3-24.9000110.6L178 T244 S246 I247 S252 K253L178-N249 HydrophobicContact CD1-CB 3.3Å; T244-N249 PolarHBondContact O-ND2 2.96Å; S246-N249 PolarHBondContact O-N 3.1Å; S246-N249 WeakPolarHBondContact OG-CB 3.39Å; S246-N249 PolarHBondContact OG-N 3.41Å; S246-N249 PolarHBondContact OG-ND2 3.42Å; I247-N249 PolarHBondContact O-N 3.21Å; N249-S252 WeakPolarHBondContact O-CB 3.23Å; N249-S252 PolarHBondContact O-N 3.42Å; N249-K253 PolarHBondContact O-N 3.21Å
250I85.9Confident78.2Confident0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-64.5-47.6173.2-59.9169000110.7T169 A172 F173 L178 V245 S246 I247 S252 K253 V254 I379T169-I250 HydrophobicContact CG2-CD1 4.25Å; A172-I250 HydrophobicContact CB-CD1 4.09Å; A172-I250 HydrophobicContact CB-CG1 3.99Å; F173-I250 HydrophobicContact CD2-CD1 4.49Å; F173-I250 HydrophobicContact CE2-CD1 3.78Å; F173-I250 HydrophobicContact CZ-CD1 4.04Å; L178-I250 HydrophobicContact CD2-CG1 4.06Å; V245-I250 HydrophobicContact CG1-CD1 3.87Å; V245-I250 HydrophobicContact CG1-CG1 4.37Å; S246-I250 WeakPolarHBondContact O-CG1 3.38Å; S246-I250 PolarHBondContact O-N 2.89Å; I247-I250 PolarHBondContact O-N 2.96Å; I250-S252 PolarHBondContact O-N 3.2Å; I250-S252 VanDerWaalsContact O-N 3.15Å; I250-K253 PolarHBondContact O-N 3.08Å; I250-V254 PolarHBondContact O-N 2.86Å; I250-V254 VanDerWaalsContact O-N 3.13Å; I250-I379 HydrophobicContact CB-CD1 4.24Å; I250-I379 HydrophobicContact CB-CG2 4.29Å; I250-I379 HydrophobicContact CD1-CG2 4.11Å; I250-I379 HydrophobicContact CG2-CD1 3.73Å; I250-I379 HydrophobicContact CG2-CG1 3.84Å; I250-I379 HydrophobicContact CG2-CG2 4.13Å
251M88.4Confident80.7Confident22 Ų2254.9 Ų54.911%0.10828%0.28CS..Hα-helixtrans-58-28.1175.8-78-179.975.600113.2I247 W248 H372 K375 F376 I379I247-M251 HydrophobicContact CG2-CG 4.15Å; I247-M251 HydrophobicContact CG2-SD 3.83Å; I247-M251 WeakPolarHBondContact O-CB 3.15Å; I247-M251 VanDerWaalsContact O-CG 3.22Å; I247-M251 WeakPolarHBondContact O-CG 3.16Å; I247-M251 PolarHBondContact O-N 3.33Å; W248-M251 PolarHBondContact O-N 2.96Å; M251-H372 HydrophobicContact CE-CB 4.49Å; M251-K375 HydrophobicContact CE-CD 4.33Å; M251-K375 HydrophobicContact CE-CG 4.11Å; M251-K375 HydrophobicContact CG-CD 4.47Å; M251-K375 HydrophobicContact CG-CG 4.27Å; M251-K375 PolarHBondContact O-NZ 2.97Å; M251-K375 VanDerWaalsContact O-NZ 3.09Å; M251-F376 HydrophobicContact CE-CB 4.26Å; M251-F376 HydrophobicContact SD-CB 4.37Å; M251-F376 HydrophobicContact SD-CD2 4.11Å; M251-I379 HydrophobicContact CB-CD1 4.17Å; M251-I379 HydrophobicContact CG-CD1 3.33Å
252S87.8Confident82.9Confident40 Ų4048.6 Ų48.628%0.2825%0.247SC..Hα-helixtrans-80.5-35.9176.3-62.50000112W248 N249 I250 R255W248-S252 WeakPolarHBondContact O-CB 3.34Å; W248-S252 PolarHBondContact O-N 3.19Å; W248-S252 PolarHBondContact O-OG 2.78Å; N249-S252 WeakPolarHBondContact O-CB 3.23Å; N249-S252 PolarHBondContact O-N 3.42Å; I250-S252 PolarHBondContact O-N 3.2Å; I250-S252 VanDerWaalsContact O-N 3.15Å; S252-R255 VanDerWaalsContact O-CB 3.24Å; S252-R255 WeakPolarHBondContact O-CB 3.17Å; S252-R255 PolarHBondContact O-N 3.36Å; S252-R255 PolarHBondContact OG-NH2 3.47Å
253K86.5Confident85.3Confident62 Ų6243 Ų4327%0.2722%0.221SC..Hα-helixtrans-65.3-41.6176.2-176.358.5173.9155.60112.4V168 L178 E182 N249 I250 R255V168-K253 HydrophobicContact CG1-CG 4Å; L178-K253 HydrophobicContact CD2-CB 4.45Å; E182-K253 IonicContact OE1-NZ 3.55Å; E182-K253 PolarHBondContact OE1-NZ 3.45Å; N249-K253 PolarHBondContact O-N 3.21Å; I250-K253 PolarHBondContact O-N 3.08Å; K253-R255 VanDerWaalsContact C-N 3.31Å; K253-R255 PolarHBondContact O-N 3.37Å
254V90Very high87.3Confident1 Ų141.1 Ų41.11%0.00621%0.205CC..THydrogen-bonded Turntrans-89.512178.9-56.40000114.3I165 V168 I250 E257 S258 K375I165-V254 HydrophobicContact CG1-CB 4.34Å; I165-V254 HydrophobicContact CG1-CG1 4.48Å; I165-V254 HydrophobicContact CG1-CG2 4.23Å; V168-V254 HydrophobicContact CB-CG1 3.74Å; V168-V254 HydrophobicContact CG1-CG1 3.59Å; V168-V254 HydrophobicContact CG2-CG1 3.96Å; I250-V254 PolarHBondContact O-N 2.86Å; I250-V254 VanDerWaalsContact O-N 3.13Å; V254-E257 VanDerWaalsContact C-OE2 3.22Å; V254-E257 WeakPolarHBondContact CA-OE2 3.15Å; V254-S258 VanDerWaalsContact O-CB 3.3Å; V254-S258 WeakPolarHBondContact O-CB 3.38Å; V254-S258 PolarHBondContact O-N 2.94Å; V254-S258 VanDerWaalsContact O-N 3.16Å; V254-S258 PolarHBondContact O-OG 3.5Å; V254-K375 HydrophobicContact CG2-CD 4.38Å
255R92.3Very high88.6Confident110 Ų11036.1 Ų36.142%0.41517%0.174SC..Hα-helixtrans-66.9-43-168.6-176.3-173-59.9167.81.9111.7S252 K253 S258 I259S252-R255 VanDerWaalsContact O-CB 3.24Å; S252-R255 WeakPolarHBondContact O-CB 3.17Å; S252-R255 PolarHBondContact O-N 3.36Å; S252-R255 PolarHBondContact OG-NH2 3.47Å; K253-R255 VanDerWaalsContact C-N 3.31Å; K253-R255 PolarHBondContact O-N 3.37Å; R255-S258 PolarHBondContact O-N 2.91Å; R255-I259 HydrophobicContact CG-CD1 3.58Å; R255-I259 HydrophobicContact CG-CG1 4.28Å; R255-I259 WeakPolarHBondContact O-CB 3.43Å; R255-I259 VanDerWaalsContact O-CG1 3.23Å; R255-I259 WeakPolarHBondContact O-CG1 3.3Å; R255-I259 PolarHBondContact O-N 3.43Å
256L90.7Very high89.4Confident75 Ų7534.4 Ų34.439%0.39316%0.164SC..Hα-helixtrans-65.8-49.6-173-176.263000110.4S258 I259 M260L256-S258 PolarHBondContact O-N 2.86Å; L256-I259 PolarHBondContact O-N 3.36Å; L256-M260 HydrophobicContact CD1-CG 4.33Å; L256-M260 WeakPolarHBondContact O-CB 3.34Å; L256-M260 VanDerWaalsContact O-CG 3.25Å; L256-M260 WeakPolarHBondContact O-CG 3.46Å; L256-M260 PolarHBondContact O-N 2.89Å
257E91.6Very high89.7Confident11 Ų1135.9 Ų35.95%0.05117%0.169CC..Hα-helixtrans-58.2-47.4177.4-60.981.6-174.400110.8W135 W139 L161 V254 M260 W261W135-E257 HydrophobicContact CZ2-CG 4.32Å; W135-E257 PolarHBondContact NE1-OE1 3.07Å; W139-E257 HydrophobicContact CD2-CB 3.87Å; W139-E257 HydrophobicContact CD2-CG 4.24Å; W139-E257 HydrophobicContact CE3-CB 4.48Å; W139-E257 HydrophobicContact CG-CB 4.07Å; W139-E257 HydrophobicContact CG-CG 4.28Å; W139-E257 HydrophobicContact CZ2-CB 4.17Å; W139-E257 HydrophobicContact CZ2-CG 4.16Å; W139-E257 VanDerWaalsContact NE1-CG 3.25Å; L161-E257 HydrophobicContact CD1-CB 4.5Å; V254-E257 VanDerWaalsContact C-OE2 3.22Å; V254-E257 WeakPolarHBondContact CA-OE2 3.15Å; E257-M260 PolarHBondContact O-N 3.28Å; E257-W261 VanDerWaalsContact O-CB 3.27Å; E257-W261 WeakPolarHBondContact O-CB 3.33Å; E257-W261 PolarHBondContact O-N 3.05Å
258S92.1Very high89.7Confident0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-63.7-43.8-180-59.50000112.4V254 R255 L256 G262 T371V254-S258 VanDerWaalsContact O-CB 3.3Å; V254-S258 WeakPolarHBondContact O-CB 3.38Å; V254-S258 PolarHBondContact O-N 2.94Å; V254-S258 VanDerWaalsContact O-N 3.16Å; V254-S258 PolarHBondContact O-OG 3.5Å; R255-S258 PolarHBondContact O-N 2.91Å; L256-S258 PolarHBondContact O-N 2.86Å; S258-G262 PolarHBondContact O-N 3.39Å; S258-T371 WeakPolarHBondContact O-CG2 3.21Å
259I93.2Very high89.6Confident47 Ų4727 Ų2724%0.24114%0.137CC..Hα-helixtrans-69.7-44.7179.9-67.7174.4000110.5R255 L256 W261 G262 A263 A367R255-I259 HydrophobicContact CG-CD1 3.58Å; R255-I259 HydrophobicContact CG-CG1 4.28Å; R255-I259 WeakPolarHBondContact O-CB 3.43Å; R255-I259 VanDerWaalsContact O-CG1 3.23Å; R255-I259 WeakPolarHBondContact O-CG1 3.3Å; R255-I259 PolarHBondContact O-N 3.43Å; L256-I259 PolarHBondContact O-N 3.36Å; I259-W261 PolarHBondContact O-N 3.48Å; I259-G262 PolarHBondContact O-N 2.94Å; I259-A263 WeakPolarHBondContact O-CB 3.44Å; I259-A263 PolarHBondContact O-N 3.18Å; I259-A367 HydrophobicContact CG2-CB 4.24Å
260M93.7Very high89.6Confident46 Ų4625.8 Ų25.823%0.22713%0.13CC..Hα-helixtrans-62.6-42.4178.7-69.4-61100.600111.6C136 W139 L140 L256 E257 A263 G264C136-M260 HydrophobicContact CB-CG 3.91Å; C136-M260 HydrophobicContact CB-SD 3.98Å; W139-M260 HydrophobicContact CB-CB 3.8Å; L140-M260 WeakPolarHBondContact CA-O 3.37Å; L256-M260 HydrophobicContact CD1-CG 4.33Å; L256-M260 WeakPolarHBondContact O-CB 3.34Å; L256-M260 VanDerWaalsContact O-CG 3.25Å; L256-M260 WeakPolarHBondContact O-CG 3.46Å; L256-M260 PolarHBondContact O-N 2.89Å; E257-M260 PolarHBondContact O-N 3.28Å; M260-A263 PolarHBondContact O-N 3.25Å; M260-G264 PolarHBondContact O-N 2.86Å
261W92.1Very high89.5Confident5 Ų529 Ų292%0.01915%0.151CC..Hα-helixtrans-56.7-53.5171.2174.5-80.6000111.5W139 L142 G143 T156 Y160 L161 E257 I259 A263 G264 T265W139-W261 HydrophobicContact CE3-CB 4.32Å; W139-W261 AromaticContact CE3-CE3 3.82Å; W139-W261 HydrophobicContact CE3-CE3 3.82Å; W139-W261 AromaticContact CZ3-CE3 3.93Å; W139-W261 HydrophobicContact CZ3-CE3 3.93Å; W139-W261 HydrophobicContact CZ3-CZ3 4.4Å; W139-W261 WeakPolarHBondContact O-CA 3.45Å; L142-W261 HydrophobicContact CB-CE3 3.87Å; L142-W261 HydrophobicContact CB-CZ3 3.66Å; L142-W261 HydrophobicContact CD1-CZ3 4.3Å; G143-W261 WeakPolarHBondContact CA-O 3.25Å; T156-W261 HydrophobicContact CG2-CH2 4.07Å; T156-W261 WeakPolarHBondContact O-CH2 3.3Å; Y160-W261 HydrophobicContact CD2-CH2 4.05Å; Y160-W261 HydrophobicContact CD2-CZ3 4.33Å; Y160-W261 HydrophobicContact CG-CH2 4.31Å; Y160-W261 HydrophobicContact CG-CZ3 4.18Å; L161-W261 HydrophobicContact CB-CD2 4.05Å; L161-W261 HydrophobicContact CB-CE3 4.24Å; L161-W261 HydrophobicContact CB-CG 4.38Å; L161-W261 HydrophobicContact CD2-CB 3.98Å; L161-W261 HydrophobicContact CD2-CD2 4.24Å; L161-W261 HydrophobicContact CD2-CG 3.69Å; E257-W261 VanDerWaalsContact O-CB 3.27Å; E257-W261 WeakPolarHBondContact O-CB 3.33Å; E257-W261 PolarHBondContact O-N 3.05Å; I259-W261 PolarHBondContact O-N 3.48Å; W261-A263 VanDerWaalsContact C-N 3.3Å; W261-A263 PolarHBondContact O-N 3.35Å; W261-G264 WeakPolarHBondContact O-CA 3.47Å; W261-G264 PolarHBondContact O-N 3.2Å; W261-G264 VanDerWaalsContact O-N 3.1Å; W261-T265 WeakPolarHBondContact O-CG2 3.03Å; W261-T265 PolarHBondContact O-N 3.5Å
262G91.1Very high89.1Confident0 Ų028.8 Ų28.80%015%0.151CC..Hα-helixtrans-63.5-34.5-178.800000113.2S258 I259 T265 A266S258-G262 PolarHBondContact O-N 3.39Å; I259-G262 PolarHBondContact O-N 2.94Å; G262-T265 PolarHBondContact O-N 2.75Å; G262-T265 PolarHBondContact O-OG1 3.42Å; G262-A266 PolarHBondContact O-N 2.75Å
263A93.2Very high88.9Confident11 Ų1126.9 Ų26.99%0.09114%0.138CC..Hα-helixtrans-64.7-43172.100000111.7I259 M260 W261 T265 A266 L267 L363 A367I259-A263 WeakPolarHBondContact O-CB 3.44Å; I259-A263 PolarHBondContact O-N 3.18Å; M260-A263 PolarHBondContact O-N 3.25Å; W261-A263 VanDerWaalsContact C-N 3.3Å; W261-A263 PolarHBondContact O-N 3.35Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-T265 PolarHBondContact O-N 3.32Å; A263-A266 PolarHBondContact O-N 3.07Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 2.76Å; A263-L363 HydrophobicContact CB-CD1 3.69Å; A263-A367 HydrophobicContact CB-CB 4.15Å
264G91.7Very high89Confident0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-56.9-43.7171.500000112.2L140 V144 M260 W261 A266 L267 G268L140-G264 WeakPolarHBondContact O-CA 3.4Å; V144-G264 WeakPolarHBondContact CA-O 3.31Å; V144-G264 VanDerWaalsContact CG2-O 3.32Å; V144-G264 WeakPolarHBondContact CG2-O 3.36Å; V144-G264 PolarHBondContact N-O 3.11Å; M260-G264 PolarHBondContact O-N 2.86Å; W261-G264 WeakPolarHBondContact O-CA 3.47Å; W261-G264 PolarHBondContact O-N 3.2Å; W261-G264 VanDerWaalsContact O-N 3.1Å; G264-A266 VanDerWaalsContact C-N 3.33Å; G264-A266 PolarHBondContact O-N 3.46Å; G264-L267 PolarHBondContact O-N 2.76Å; G264-G268 PolarHBondContact O-N 3.14Å
265T88.6Confident88.4Confident6 Ų631.4 Ų31.44%0.03716%0.159CC..Hα-helixtrans-62.9-39.3177.170.80000112.4G143 S146 S147 W261 G262 A263 G268 E269G143-T265 PolarHBondContact O-N 3.38Å; S146-T265 WeakPolarHBondContact OG-CG2 3.18Å; S147-T265 WeakPolarHBondContact OG-CA 3.49Å; S147-T265 PolarHBondContact OG-O 2.86Å; W261-T265 WeakPolarHBondContact O-CG2 3.03Å; W261-T265 PolarHBondContact O-N 3.5Å; G262-T265 PolarHBondContact O-N 2.75Å; G262-T265 PolarHBondContact O-OG1 3.42Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-T265 PolarHBondContact O-N 3.32Å; T265-G268 PolarHBondContact O-N 2.92Å; T265-E269 VanDerWaalsContact O-CG 3.32Å; T265-E269 WeakPolarHBondContact O-CG 3.31Å; T265-E269 PolarHBondContact O-N 3.39Å; T265-E269 VanDerWaalsContact O-N 3.16Å
266A89.4Confident87.7Confident0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-65.7-37.4176.500000112.4G262 A263 G264 L363 K366G262-A266 PolarHBondContact O-N 2.75Å; A263-A266 PolarHBondContact O-N 3.07Å; G264-A266 VanDerWaalsContact C-N 3.33Å; G264-A266 PolarHBondContact O-N 3.46Å; A266-L363 HydrophobicContact CB-CD1 4.33Å; A266-K366 HydrophobicContact CB-CB 4.3Å; A266-K366 HydrophobicContact CB-CD 4.1Å
267L90.3Very high87.4Confident66 Ų6626.1 Ų26.135%0.34614%0.135SC..Hα-helixtrans-68.9-40.9174.3-72.7170.7000112.2L140 V144 A263 G264 E269 L270 F359L140-L267 HydrophobicContact CD1-CD1 4.28Å; L140-L267 HydrophobicContact CD2-CD1 4.15Å; L140-L267 HydrophobicContact CG-CD1 4.38Å; V144-L267 HydrophobicContact CG2-CB 4Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 2.76Å; G264-L267 PolarHBondContact O-N 2.76Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.44Å; L267-L270 WeakPolarHBondContact O-CB 3.29Å; L267-L270 PolarHBondContact O-N 3.49Å; L267-F359 HydrophobicContact CD2-CE2 3.74Å; L267-F359 HydrophobicContact CD2-CZ 3.83Å; L267-F359 HydrophobicContact CG-CE2 4.39Å
268G84.8Confident86.9Confident10 Ų1028.4 Ų28.410%0.10316%0.156CC..Hα-helixtrans-70.2-21.7-179.200000114.1S147 G264 T265 P271S147-G268 VanDerWaalsContact CB-C 3.48Å; G264-G268 PolarHBondContact O-N 3.14Å; T265-G268 PolarHBondContact O-N 2.92Å; G268-P271 WeakPolarHBondContact O-CD 3.22Å
269E81.7Confident86.2Confident9 Ų928.8 Ų28.84%0.04216%0.16CC..THydrogen-bonded Turntrans-94.75.3176.7-60.7177.8-152.100112.8T265 L267 P272 F341 K366T265-E269 VanDerWaalsContact O-CG 3.32Å; T265-E269 WeakPolarHBondContact O-CG 3.31Å; T265-E269 PolarHBondContact O-N 3.39Å; T265-E269 VanDerWaalsContact O-N 3.16Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.44Å; E269-P272 WeakPolarHBondContact O-CD 3.36Å; E269-F341 HydrophobicContact CB-CD1 3.58Å; E269-F341 HydrophobicContact CB-CE1 3.19Å; E269-F341 HydrophobicContact CB-CZ 3.83Å; E269-F341 HydrophobicContact CG-CD1 4.26Å; E269-F341 HydrophobicContact CG-CE1 4.28Å; E269-F341 WeakPolarHBondContact O-CE1 3.06Å; E269-F341 WeakPolarHBondContact OE2-CB 3.18Å; E269-F341 WeakPolarHBondContact OE2-CD1 3.18Å; E269-F341 WeakPolarHBondContact OE2-CE1 3.43Å; E269-F341 WeakPolarHBondContact OE2-CG 3.46Å; E269-K366 VanDerWaalsContact CD-CE 3.48Å; E269-K366 IonicContact OE1-NZ 3.87Å; E269-K366 PolarHBondContact OE1-NZ 2.87Å; E269-K366 WeakPolarHBondContact OE2-CE 3.37Å; E269-K366 IonicContact OE2-NZ 3.78Å; E269-K366 PolarHBondContact OE2-NZ 2.84Å
270L86.6Confident85.5Confident20 Ų2030.8 Ų30.811%0.10517%0.168CC..  trans-69.9-27.8178-150.370.5000116.2L267 Y273 F274 F355 F358 F359L267-L270 WeakPolarHBondContact O-CB 3.29Å; L267-L270 PolarHBondContact O-N 3.49Å; L270-Y273 WeakPolarHBondContact O-CB 3.21Å; L270-Y273 PolarHBondContact O-N 2.97Å; L270-F274 HydrophobicContact CD2-CD2 4.17Å; L270-F274 HydrophobicContact CD2-CE2 3.43Å; L270-F274 VanDerWaalsContact CD2-CE2 3.43Å; L270-F274 HydrophobicContact CD2-CZ 4.32Å; L270-F274 HydrophobicContact CG-CD2 3.96Å; L270-F274 HydrophobicContact CG-CE2 3.63Å; L270-F274 PolarHBondContact O-N 3.33Å; L270-F355 HydrophobicContact CD1-CE2 3.98Å; L270-F355 HydrophobicContact CD2-CE2 4Å; L270-F355 HydrophobicContact CD2-CZ 4.45Å; L270-F355 HydrophobicContact CG-CE2 4.35Å; L270-F358 HydrophobicContact CD1-CD1 4.36Å; L270-F358 HydrophobicContact CD1-CE1 3.9Å; L270-F359 HydrophobicContact CD1-CD2 3.82Å
271P83.5Confident85Confident69 Ų6934.1 Ų34.145%0.44819%0.186SC..Hα-helixtrans-55.3-45.8-175.7-2532.9000115.3G268 Y273 F274 M275G268-P271 WeakPolarHBondContact O-CD 3.22Å; P271-Y273 VanDerWaalsContact C-N 3.25Å; P271-Y273 PolarHBondContact O-N 3.14Å; P271-F274 PolarHBondContact O-N 2.91Å; P271-F274 VanDerWaalsContact O-N 3.11Å; P271-M275 WeakPolarHBondContact O-CG 3.13Å; P271-M275 PolarHBondContact O-N 3.41Å
272P79.4Confident84.2Confident16 Ų1636.8 Ų36.810%0.10421%0.206CC..Hα-helixtrans-51.9-39.9175.9-30.436.7000114.6E269 M275 A276 F294 I346E269-P272 WeakPolarHBondContact O-CD 3.36Å; P272-M275 PolarHBondContact O-N 3.23Å; P272-A276 WeakPolarHBondContact O-CB 3.48Å; P272-A276 PolarHBondContact O-N 2.6Å; P272-F294 HydrophobicContact CB-CZ 3.94Å; P272-F294 HydrophobicContact CG-CZ 4.2Å; P272-I346 HydrophobicContact CB-CG1 4.07Å
273Y85.4Confident82.9Confident0 Ų040.4 Ų40.40%024%0.243CC..Hα-helixtrans-64.2-46.4178.4168.3-92.2000112L270 P271 R277 G345 C348 V353 F355 F358L270-Y273 WeakPolarHBondContact O-CB 3.21Å; L270-Y273 PolarHBondContact O-N 2.97Å; P271-Y273 VanDerWaalsContact C-N 3.25Å; P271-Y273 PolarHBondContact O-N 3.14Å; Y273-R277 WeakPolarHBondContact O-CB 3.2Å; Y273-R277 PolarHBondContact O-N 3.5Å; Y273-R277 PolarHBondContact OH-NH1 3.35Å; Y273-G345 WeakPolarHBondContact CA-O 3.4Å; Y273-C348 HydrophobicContact CD2-CB 3.95Å; Y273-C348 HydrophobicContact CE2-CB 4.11Å; Y273-V353 PolarHBondContact OH-O 3.16Å; Y273-F355 HydrophobicContact CD1-CD2 4.38Å; Y273-F355 HydrophobicContact CE1-CB 4.31Å; Y273-F355 AromaticContact CE1-CD2 3.81Å; Y273-F355 HydrophobicContact CE1-CD2 3.81Å; Y273-F355 VanDerWaalsContact OH-CA 3.23Å; Y273-F355 WeakPolarHBondContact OH-CA 3.28Å; Y273-F355 PolarHBondContact OH-N 2.88Å; Y273-F355 VanDerWaalsContact OH-N 3.17Å; Y273-F358 VanDerWaalsContact CB-CE1 3.45Å; Y273-F358 HydrophobicContact CD1-CD1 4.08Å; Y273-F358 HydrophobicContact CD1-CE1 4.28Å; Y273-F358 HydrophobicContact CD2-CB 4.31Å; Y273-F358 AromaticContact CD2-CD1 3.48Å; Y273-F358 HydrophobicContact CD2-CD1 3.48Å; Y273-F358 VanDerWaalsContact CD2-CD1 3.48Å; Y273-F358 HydrophobicContact CD2-CD2 4.36Å; Y273-F358 AromaticContact CD2-CE1 3.8Å; Y273-F358 HydrophobicContact CD2-CE1 3.8Å; Y273-F358 AromaticContact CD2-CG 3.79Å; Y273-F358 HydrophobicContact CD2-CG 3.79Å; Y273-F358 HydrophobicContact CD2-CZ 4.38Å; Y273-F358 HydrophobicContact CE1-CD1 4.49Å; Y273-F358 HydrophobicContact CE2-CB 4.03Å; Y273-F358 AromaticContact CE2-CD1 3.94Å; Y273-F358 HydrophobicContact CE2-CD1 3.94Å; Y273-F358 HydrophobicContact CE2-CG 4.03Å; Y273-F358 AromaticContact CG-CD1 3.56Å; Y273-F358 HydrophobicContact CG-CD1 3.56Å; Y273-F358 AromaticContact CG-CE1 3.57Å; Y273-F358 HydrophobicContact CG-CE1 3.57Å; Y273-F358 HydrophobicContact CG-CG 4.33Å; Y273-F358 HydrophobicContact CG-CZ 4.36Å
274F87.8Confident81.2Confident98 Ų9847.3 Ų47.343%0.4327%0.273SS..Hα-helixtrans-71.1-35.7179.2-76.6-61.7000112.5L270 P271 A278 F355L270-F274 HydrophobicContact CD2-CD2 4.17Å; L270-F274 HydrophobicContact CD2-CE2 3.43Å; L270-F274 VanDerWaalsContact CD2-CE2 3.43Å; L270-F274 HydrophobicContact CD2-CZ 4.32Å; L270-F274 HydrophobicContact CG-CD2 3.96Å; L270-F274 HydrophobicContact CG-CE2 3.63Å; L270-F274 PolarHBondContact O-N 3.33Å; P271-F274 PolarHBondContact O-N 2.91Å; P271-F274 VanDerWaalsContact O-N 3.11Å; F274-A278 VanDerWaalsContact O-CB 3.25Å; F274-A278 WeakPolarHBondContact O-CB 3.3Å; F274-A278 PolarHBondContact O-N 3.36Å; F274-F355 HydrophobicContact CE1-CD2 4.21Å; F274-F355 HydrophobicContact CE2-CE2 4.11Å; F274-F355 AromaticContact CZ-CD2 3.73Å; F274-F355 HydrophobicContact CZ-CD2 3.73Å; F274-F355 AromaticContact CZ-CE2 3.63Å; F274-F355 HydrophobicContact CZ-CE2 3.63Å
275M77.1Confident79.4Confident60 Ų6052.9 Ų52.930%0.29630%0.299SS..Hα-helixtrans-63.4-50.8175.9-71.4177.871.300111.3P271 P272 R277 A278 G279 E290P271-M275 WeakPolarHBondContact O-CG 3.13Å; P271-M275 PolarHBondContact O-N 3.41Å; P272-M275 PolarHBondContact O-N 3.23Å; M275-R277 VanDerWaalsContact C-N 3.34Å; M275-R277 PolarHBondContact O-N 3.41Å; M275-A278 PolarHBondContact O-N 3.16Å; M275-G279 PolarHBondContact O-N 2.9Å; M275-G279 VanDerWaalsContact O-N 3.07Å; M275-E290 HydrophobicContact CE-CB 4.36Å
276A77Confident77.7Confident3 Ų353.8 Ų53.83%0.02531%0.305CS..Hα-helixtrans-63.2-40.3177.800000112.1P272 G279 E280 I346P272-A276 WeakPolarHBondContact O-CB 3.48Å; P272-A276 PolarHBondContact O-N 2.6Å; A276-G279 PolarHBondContact O-N 3.39Å; A276-E280 PolarHBondContact O-N 3.43Å; A276-E280 VanDerWaalsContact O-N 3.11Å; A276-I346 HydrophobicContact CB-CG2 4.18Å; A276-I346 WeakPolarHBondContact CB-O 3.21Å
277R85.6Confident76Confident71 Ų7158.1 Ų58.127%0.26833%0.328SS..Hα-helixtrans-66-37.9176.8-174.8166.8-173.4178.70.5113.2Y273 M275 L281 G349 L352Y273-R277 WeakPolarHBondContact O-CB 3.2Å; Y273-R277 PolarHBondContact O-N 3.5Å; Y273-R277 PolarHBondContact OH-NH1 3.35Å; M275-R277 VanDerWaalsContact C-N 3.34Å; M275-R277 PolarHBondContact O-N 3.41Å; R277-L281 HydrophobicContact CG-CD1 4.13Å; R277-L281 WeakPolarHBondContact O-CB 3.37Å; R277-L281 VanDerWaalsContact O-CG 3.31Å; R277-L281 WeakPolarHBondContact O-CG 3.33Å; R277-L281 PolarHBondContact O-N 3.02Å; R277-L281 VanDerWaalsContact O-N 3.13Å; R277-G349 VanDerWaalsContact CA-O 3.3Å; R277-G349 WeakPolarHBondContact CA-O 3.25Å; R277-L352 HydrophobicContact CG-CD2 3.85Å
278A81.1Confident74.4Confident59 Ų5958.6 Ų58.649%0.48833%0.331SS..Hα-helixtrans-66.9-40.9176.700000111.3F274 M275 L281 S282F274-A278 VanDerWaalsContact O-CB 3.25Å; F274-A278 WeakPolarHBondContact O-CB 3.3Å; F274-A278 PolarHBondContact O-N 3.36Å; M275-A278 PolarHBondContact O-N 3.16Å; A278-L281 PolarHBondContact O-N 3.4Å; A278-S282 PolarHBondContact O-N 3.29Å; A278-S282 PolarHBondContact O-OG 3Å
279G76.5Confident73.1Confident9 Ų958.7 Ų58.79%0.09333%0.329CS..Hα-helixtrans-63.1-41.1176.800000113.4M275 A276 S282M275-G279 PolarHBondContact O-N 2.9Å; M275-G279 VanDerWaalsContact O-N 3.07Å; A276-G279 PolarHBondContact O-N 3.39Å; G279-S282 PolarHBondContact O-OG 3.2Å
280E79Confident71.7Confident89 Ų8963 Ų6342%0.41635%0.349SS..Hα-helixtrans-68-42.9176.2-176.865.2-165.800111.9A276 S282 G283 H350 L352A276-E280 PolarHBondContact O-N 3.43Å; A276-E280 VanDerWaalsContact O-N 3.11Å; E280-S282 VanDerWaalsContact C-N 3.3Å; E280-S282 PolarHBondContact O-N 2.92Å; E280-G283 PolarHBondContact O-N 2.81Å; E280-H350 WeakPolarHBondContact CG-O 3.27Å; E280-H350 IonicContact OE2-CD2 2.81Å; E280-H350 IonicContact OE2-NE2 2.96Å; E280-L352 HydrophobicContact CB-CD2 3.92Å; E280-L352 HydrophobicContact CB-CG 4.48Å; E280-L352 HydrophobicContact CG-CD1 4.04Å; E280-L352 HydrophobicContact CG-CD2 3.79Å; E280-L352 HydrophobicContact CG-CG 3.84Å
281L82.9Confident70.3Confident116 Ų11664 Ų6461%0.60735%0.352SS*.Hα-helixtrans-68.8-25.5179.8-72174.4000113.6R277 A278 G283 L352R277-L281 HydrophobicContact CG-CD1 4.13Å; R277-L281 WeakPolarHBondContact O-CB 3.37Å; R277-L281 VanDerWaalsContact O-CG 3.31Å; R277-L281 WeakPolarHBondContact O-CG 3.33Å; R277-L281 PolarHBondContact O-N 3.02Å; R277-L281 VanDerWaalsContact O-N 3.13Å; A278-L281 PolarHBondContact O-N 3.4Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-L352 HydrophobicContact CD2-CD1 4.16Å; L281-L352 HydrophobicContact CD2-CD2 3.96Å; L281-L352 HydrophobicContact CG-CD2 3.86Å
282S75.4Confident69.3Low61 Ų6165.3 Ų65.343%0.42735%0.348SS..Hα-helixtrans-75.7-19.8177.850.90000113.3A278 G279 E280 Q284A278-S282 PolarHBondContact O-N 3.29Å; A278-S282 PolarHBondContact O-OG 3Å; G279-S282 PolarHBondContact O-OG 3.2Å; E280-S282 VanDerWaalsContact C-N 3.3Å; E280-S282 PolarHBondContact O-N 2.92Å; S282-Q284 PolarHBondContact O-N 3.1Å; S282-Q284 PolarHBondContact OG-O 3.36Å
283G64.7Low68.4Low75 Ų7569.4 Ų69.477%0.77337%0.366SS*.SBendtrans61.6-10.7-176.100000115.3E280 L281E280-G283 PolarHBondContact O-N 2.81Å; L281-G283 VanDerWaalsContact C-N 3.33Å
284Q56.3Low67.1Low157 Ų15771.3 Ų71.373%0.73437%0.374SS*.SBendtrans-104.6134166.6-77.6177.1-2800107.5S282 P286S282-Q284 PolarHBondContact O-N 3.1Å; S282-Q284 PolarHBondContact OG-O 3.36Å; Q284-P286 VanDerWaalsContact O-CD 3.23Å; Q284-P286 WeakPolarHBondContact O-CD 3.42Å
285E55.1Low65.8Low116 Ų11670.3 Ų70.354%0.54237%0.369SS..  trans-51.3114.7163.9-75-164.4143.500107D287 K295E285-D287 PolarHBondContact O-N 3.07Å; E285-D287 VanDerWaalsContact O-N 3.11Å; E285-K295 IonicContact OE1-NZ 3.67Å; E285-K295 PolarHBondContact OE1-NZ 3.08Å
286P52.8Low65.2Low25 Ų2572.7 Ų72.716%0.16238%0.38CS..  trans-59.4126.8-178.421.7-29.8000107.1Q284 D288 Y291Q284-P286 VanDerWaalsContact O-CD 3.23Å; Q284-P286 WeakPolarHBondContact O-CD 3.42Å; P286-D288 HydrophobicContact CB-CB 4.3Å; P286-D288 PolarHBondContact O-N 2.77Å; P286-Y291 HydrophobicContact CG-CD1 3.64Å; P286-Y291 HydrophobicContact CG-CD2 4.26Å; P286-Y291 HydrophobicContact CG-CE1 4.08Å; P286-Y291 HydrophobicContact CG-CG 3.74Å
287D53.5Low64.3Low91 Ų9178 Ų7849%0.48740%0.403SS..  trans-67.317.2176.8-144.418.5000111.6E285 E289 R292 R463E285-D287 PolarHBondContact O-N 3.07Å; E285-D287 VanDerWaalsContact O-N 3.11Å; D287-E289 PolarHBondContact O-N 3.5Å; D287-R292 IonicContact OD1-CZ 3.37Å; D287-R292 VanDerWaalsContact OD1-CZ 3.27Å; D287-R292 IonicContact OD1-NH1 2.55Å; D287-R292 PolarHBondContact OD1-NH1 2.93Å; D287-R292 IonicContact OD1-NH2 3.76Å; D287-R292 PolarHBondContact OD1-NH2 3.2Å; D287-R463 PolarHBondContact O-NH1 2.75Å; D287-R463 PolarHBondContact O-NH2 3.16Å
288D57.3Low63Low77 Ų7776.1 Ų76.141%0.41240%0.398SS..  trans-69.5109.9170.8-73.8-26.3000109.6P286 E290 Y291 R292 R463P286-D288 HydrophobicContact CB-CB 4.3Å; P286-D288 PolarHBondContact O-N 2.77Å; D288-E290 PolarHBondContact O-N 3.22Å; D288-Y291 CarbonylContact O-C 3.22Å; D288-Y291 WeakPolarHBondContact O-CA 3.21Å; D288-Y291 WeakPolarHBondContact O-CB 3.17Å; D288-Y291 PolarHBondContact O-N 3.27Å; D288-R292 PolarHBondContact O-N 2.98Å; D288-R463 IonicContact OD1-CZ 3.69Å; D288-R463 IonicContact OD1-NH1 3.96Å; D288-R463 PolarHBondContact OD1-NH1 3.49Å; D288-R463 IonicContact OD1-NH2 3.59Å
289E55.4Low62.1Low11 Ų1177.3 Ų77.35%0.05139%0.393CS..Hα-helixtrans-59.4-28.3171.8-168.9168.3-163.100110.7L61 R64 Q65 D287 Y291 R292 E293L61-E289 HydrophobicContact CD1-CG 4.29Å; R64-E289 IonicContact CZ-OE2 2.66Å; R64-E289 VanDerWaalsContact NH1-CB 3.33Å; R64-E289 IonicContact NH1-OE2 3.83Å; R64-E289 PolarHBondContact NH1-OE2 3.28Å; Q65-E289 WeakPolarHBondContact CG-OE1 3.47Å; Q65-E289 PolarHBondContact NE2-OE1 3.1Å; D287-E289 PolarHBondContact O-N 3.5Å; E289-Y291 VanDerWaalsContact C-N 3.31Å; E289-Y291 PolarHBondContact O-N 2.91Å; E289-R292 PolarHBondContact O-N 3.4Å; E289-E293 HydrophobicContact CG-CG 4.16Å; E289-E293 WeakPolarHBondContact O-CB 3.44Å; E289-E293 VanDerWaalsContact O-CG 3.25Å; E289-E293 WeakPolarHBondContact O-CG 3.42Å; E289-E293 PolarHBondContact O-N 2.83Å
290E53.1Low61.2Low99 Ų9982.2 Ų82.246%0.46342%0.415SS..Hα-helixtrans-62.7-38.9170.5-67.1-179.3-176.700111.6M275 D288 F294M275-E290 HydrophobicContact CE-CB 4.36Å; D288-E290 PolarHBondContact O-N 3.22Å; E290-F294 WeakPolarHBondContact O-CB 2.92Å; E290-F294 PolarHBondContact O-N 2.73Å
291Y57.7Low59.9Low42 Ų4280.1 Ų80.117%0.16541%0.409CS..Hα-helixtrans-71.1-39174.3-174.9-102.7000111.4P286 D288 E289 K295P286-Y291 HydrophobicContact CG-CD1 3.64Å; P286-Y291 HydrophobicContact CG-CD2 4.26Å; P286-Y291 HydrophobicContact CG-CE1 4.08Å; P286-Y291 HydrophobicContact CG-CG 3.74Å; D288-Y291 CarbonylContact O-C 3.22Å; D288-Y291 WeakPolarHBondContact O-CA 3.21Å; D288-Y291 WeakPolarHBondContact O-CB 3.17Å; D288-Y291 PolarHBondContact O-N 3.27Å; E289-Y291 VanDerWaalsContact C-N 3.31Å; E289-Y291 PolarHBondContact O-N 2.91Å; Y291-K295 WeakPolarHBondContact O-CB 3.41Å; Y291-K295 PolarHBondContact O-N 2.87Å
292R62.7Low58.4Low97 Ų9778 Ų7837%0.36640%0.396SS..Hα-helixtrans-70.7-43.5176.5-71.6-169.2179.2135.410.2113.3D287 D288 E289 F294 K295 Q296D287-R292 IonicContact OD1-CZ 3.37Å; D287-R292 VanDerWaalsContact OD1-CZ 3.27Å; D287-R292 IonicContact OD1-NH1 2.55Å; D287-R292 PolarHBondContact OD1-NH1 2.93Å; D287-R292 IonicContact OD1-NH2 3.76Å; D287-R292 PolarHBondContact OD1-NH2 3.2Å; D288-R292 PolarHBondContact O-N 2.98Å; E289-R292 PolarHBondContact O-N 3.4Å; R292-F294 VanDerWaalsContact C-N 3.28Å; R292-K295 CarbonylContact O-C 3.6Å; R292-K295 PolarHBondContact O-N 3.49Å; R292-Q296 WeakPolarHBondContact O-CB 3.1Å; R292-Q296 VanDerWaalsContact O-CG 3.29Å; R292-Q296 WeakPolarHBondContact O-CG 3.28Å; R292-Q296 PolarHBondContact O-N 3.48Å
293E60.4Low57.1Low102 Ų10281.8 Ų81.848%0.47741%0.406SS..Hα-helixtrans-63.4-39.1174-75.4179.5177.200110.1E289 Q296 F297E289-E293 HydrophobicContact CG-CG 4.16Å; E289-E293 WeakPolarHBondContact O-CB 3.44Å; E289-E293 VanDerWaalsContact O-CG 3.25Å; E289-E293 WeakPolarHBondContact O-CG 3.42Å; E289-E293 PolarHBondContact O-N 2.83Å; E293-Q296 PolarHBondContact O-N 2.91Å; E293-F297 WeakPolarHBondContact O-CB 3.23Å; E293-F297 PolarHBondContact O-N 2.8Å
294F58.4Low56.4Low40 Ų4081.8 Ų81.818%0.17540%0.399CS..Hα-helixtrans-66.6-44.2172.4-177.6-116.2000111.6P272 E290 R292 Q296 F297 L298 I346P272-F294 HydrophobicContact CB-CZ 3.94Å; P272-F294 HydrophobicContact CG-CZ 4.2Å; E290-F294 WeakPolarHBondContact O-CB 2.92Å; E290-F294 PolarHBondContact O-N 2.73Å; R292-F294 VanDerWaalsContact C-N 3.28Å; F294-Q296 VanDerWaalsContact C-N 3.34Å; F294-Q296 PolarHBondContact O-N 2.92Å; F294-F297 CarbonylContact O-C 3.58Å; F294-F297 WeakPolarHBondContact O-CB 3.44Å; F294-F297 PolarHBondContact O-N 3.35Å; F294-L298 HydrophobicContact CD1-CD1 3.68Å; F294-L298 HydrophobicContact CD1-CG 4.44Å; F294-L298 HydrophobicContact CE1-CD1 3.5Å; F294-L298 HydrophobicContact CE1-CG 4.33Å; F294-L298 HydrophobicContact CE2-CD1 4.4Å; F294-L298 HydrophobicContact CE2-CD2 4.48Å; F294-L298 HydrophobicContact CE2-CG 4.38Å; F294-L298 HydrophobicContact CG-CD1 4.25Å; F294-L298 HydrophobicContact CZ-CD1 3.89Å; F294-L298 HydrophobicContact CZ-CD2 4.35Å; F294-L298 HydrophobicContact CZ-CG 4.29Å; F294-L298 WeakPolarHBondContact O-CB 2.81Å; F294-L298 WeakPolarHBondContact O-CG 2.9Å; F294-L298 PolarHBondContact O-N 3.37Å; F294-I346 HydrophobicContact CE1-CD1 3.88Å; F294-I346 HydrophobicContact CE1-CG1 3.72Å; F294-I346 HydrophobicContact CZ-CD1 3.54Å; F294-I346 HydrophobicContact CZ-CG1 3.66Å
295K60.5Low55.7Low76 Ų7678 Ų7833%0.3338%0.381SS..Hα-helixtrans-61.6-40.9174.7-164.9-177.7-176.2-170.90111.3E285 Y291 R292 L298 E299E285-K295 IonicContact OE1-NZ 3.67Å; E285-K295 PolarHBondContact OE1-NZ 3.08Å; Y291-K295 WeakPolarHBondContact O-CB 3.41Å; Y291-K295 PolarHBondContact O-N 2.87Å; R292-K295 CarbonylContact O-C 3.6Å; R292-K295 PolarHBondContact O-N 3.49Å; K295-L298 CarbonylContact O-C 3.58Å; K295-L298 WeakPolarHBondContact O-CB 3.35Å; K295-L298 PolarHBondContact O-N 3.07Å; K295-E299 WeakPolarHBondContact O-CB 3.34Å; K295-E299 VanDerWaalsContact O-CG 3.26Å; K295-E299 WeakPolarHBondContact O-CG 3.42Å; K295-E299 PolarHBondContact O-N 2.88Å
296Q63.8Low55.3Low111 Ų11174.2 Ų74.252%0.51937%0.37SS..Hα-helixtrans-67.5-39.9173-76.2177.5-600112R292 E293 F294 L298 E299 M300R292-Q296 WeakPolarHBondContact O-CB 3.1Å; R292-Q296 VanDerWaalsContact O-CG 3.29Å; R292-Q296 WeakPolarHBondContact O-CG 3.28Å; R292-Q296 PolarHBondContact O-N 3.48Å; E293-Q296 PolarHBondContact O-N 2.91Å; F294-Q296 VanDerWaalsContact C-N 3.34Å; F294-Q296 PolarHBondContact O-N 2.92Å; Q296-L298 VanDerWaalsContact C-N 3.28Å; Q296-L298 PolarHBondContact O-N 3.09Å; Q296-E299 PolarHBondContact O-N 2.87Å; Q296-M300 VanDerWaalsContact O-CB 3.3Å; Q296-M300 WeakPolarHBondContact O-CB 3.44Å; Q296-M300 VanDerWaalsContact O-CG 3.22Å; Q296-M300 WeakPolarHBondContact O-CG 3.28Å; Q296-M300 PolarHBondContact O-N 2.86Å
297F58.5Low55Low114 Ų11482 Ų8250%0.540%0.401SS..Hα-helixtrans-63.4-38.1173.3175.6-98.7000111.3E293 F294 M300 T301E293-F297 WeakPolarHBondContact O-CB 3.23Å; E293-F297 PolarHBondContact O-N 2.8Å; F294-F297 CarbonylContact O-C 3.58Å; F294-F297 WeakPolarHBondContact O-CB 3.44Å; F294-F297 PolarHBondContact O-N 3.35Å; F297-M300 HydrophobicContact CB-CE 4.47Å; F297-T301 VanDerWaalsContact O-CB 3.28Å; F297-T301 WeakPolarHBondContact O-CB 3.21Å; F297-T301 PolarHBondContact O-N 3.22Å; F297-T301 PolarHBondContact O-OG1 3.3Å
298L58.6Low54.9Low32 Ų3281.8 Ų81.817%0.16840%0.4CS..Hα-helixtrans-67.1-47.6172.8-70168.4000111F294 K295 Q296 M300 T301 E302 I346F294-L298 HydrophobicContact CD1-CD1 3.68Å; F294-L298 HydrophobicContact CD1-CG 4.44Å; F294-L298 HydrophobicContact CE1-CD1 3.5Å; F294-L298 HydrophobicContact CE1-CG 4.33Å; F294-L298 HydrophobicContact CE2-CD1 4.4Å; F294-L298 HydrophobicContact CE2-CD2 4.48Å; F294-L298 HydrophobicContact CE2-CG 4.38Å; F294-L298 HydrophobicContact CG-CD1 4.25Å; F294-L298 HydrophobicContact CZ-CD1 3.89Å; F294-L298 HydrophobicContact CZ-CD2 4.35Å; F294-L298 HydrophobicContact CZ-CG 4.29Å; F294-L298 WeakPolarHBondContact O-CB 2.81Å; F294-L298 WeakPolarHBondContact O-CG 2.9Å; F294-L298 PolarHBondContact O-N 3.37Å; K295-L298 CarbonylContact O-C 3.58Å; K295-L298 WeakPolarHBondContact O-CB 3.35Å; K295-L298 PolarHBondContact O-N 3.07Å; Q296-L298 VanDerWaalsContact C-N 3.28Å; Q296-L298 PolarHBondContact O-N 3.09Å; L298-M300 VanDerWaalsContact C-N 3.29Å; L298-M300 PolarHBondContact O-N 3.5Å; L298-T301 CarbonylContact O-C 3.56Å; L298-T301 PolarHBondContact O-N 3.44Å; L298-E302 WeakPolarHBondContact O-CA 3.02Å; L298-E302 WeakPolarHBondContact O-CB 3.29Å; L298-E302 WeakPolarHBondContact O-CG 3.42Å; L298-E302 PolarHBondContact O-N 3.34Å; L298-I346 HydrophobicContact CD1-CD1 3.5Å; L298-I346 VanDerWaalsContact CD1-CD1 3.5Å; L298-I346 HydrophobicContact CD1-CG1 4.25Å; L298-I346 HydrophobicContact CD1-CG2 4.35Å; L298-I346 HydrophobicContact CD2-CD1 3.26Å; L298-I346 HydrophobicContact CG-CD1 3.97Å
299E61.8Low54.9Low83 Ų8384.8 Ų84.839%0.38842%0.417SS..Hα-helixtrans-61.2-37.2175.3-75.1169.1-16900111.6K295 Q296 Q303K295-E299 WeakPolarHBondContact O-CB 3.34Å; K295-E299 VanDerWaalsContact O-CG 3.26Å; K295-E299 WeakPolarHBondContact O-CG 3.42Å; K295-E299 PolarHBondContact O-N 2.88Å; Q296-E299 PolarHBondContact O-N 2.87Å; E299-Q303 WeakPolarHBondContact O-CB 3.36Å; E299-Q303 WeakPolarHBondContact O-CG 3.47Å; E299-Q303 PolarHBondContact O-N 3.34Å
300M56.8Low55.4Low112 Ų11292.5 Ų92.555%0.55245%0.445SS*.Hα-helixtrans-70.3-40.7174.6-76.1-172.6-64.700111.9Q296 F297 L298 Q303 A304Q296-M300 VanDerWaalsContact O-CB 3.3Å; Q296-M300 WeakPolarHBondContact O-CB 3.44Å; Q296-M300 VanDerWaalsContact O-CG 3.22Å; Q296-M300 WeakPolarHBondContact O-CG 3.28Å; Q296-M300 PolarHBondContact O-N 2.86Å; F297-M300 HydrophobicContact CB-CE 4.47Å; L298-M300 VanDerWaalsContact C-N 3.29Å; L298-M300 PolarHBondContact O-N 3.5Å; M300-Q303 PolarHBondContact O-N 3.02Å; M300-A304 WeakPolarHBondContact O-CB 3.3Å; M300-A304 PolarHBondContact O-N 2.83Å
301T52.2Low55.4Low46 Ų4689.5 Ų89.528%0.28243%0.432SS..Hα-helixtrans-67.4-43.7176-58.90000110F297 L298 A304 Q305F297-T301 VanDerWaalsContact O-CB 3.28Å; F297-T301 WeakPolarHBondContact O-CB 3.21Å; F297-T301 PolarHBondContact O-N 3.22Å; F297-T301 PolarHBondContact O-OG1 3.3Å; L298-T301 CarbonylContact O-C 3.56Å; L298-T301 PolarHBondContact O-N 3.44Å; T301-A304 PolarHBondContact O-N 3.18Å; T301-Q305 WeakPolarHBondContact O-CB 3.37Å; T301-Q305 WeakPolarHBondContact O-CG 3.24Å; T301-Q305 PolarHBondContact O-N 2.82Å
302E50.3Low55.4Low72 Ų7291 Ų9134%0.33644%0.443SS..Hα-helixtrans-60.6-46.3172.8-76.7-173.5167.200110.6L298 Q305 A306 K315L298-E302 WeakPolarHBondContact O-CA 3.02Å; L298-E302 WeakPolarHBondContact O-CB 3.29Å; L298-E302 WeakPolarHBondContact O-CG 3.42Å; L298-E302 PolarHBondContact O-N 3.34Å; E302-Q305 CarbonylContact O-C 3.57Å; E302-Q305 PolarHBondContact O-N 2.77Å; E302-A306 WeakPolarHBondContact O-CA 3.29Å; E302-A306 WeakPolarHBondContact O-CB 2.98Å; E302-A306 PolarHBondContact O-N 2.93Å; E302-K315 IonicContact OE1-NZ 2.78Å; E302-K315 PolarHBondContact OE1-NZ 2.64Å; E302-K315 IonicContact OE2-NZ 3.16Å
303Q49.2Very low55.5Low139 Ų13989.3 Ų89.365%0.6545%0.45SS*.Hα-helixtrans-70.1-37.6177.8-75.7173.412.800112.9E299 M300 Q305 K307E299-Q303 WeakPolarHBondContact O-CB 3.36Å; E299-Q303 WeakPolarHBondContact O-CG 3.47Å; E299-Q303 PolarHBondContact O-N 3.34Å; M300-Q303 PolarHBondContact O-N 3.02Å; Q303-Q305 PolarHBondContact O-N 3.02Å; Q303-K307 PolarHBondContact O-N 2.74Å
304A49.4Very low55.6Low75 Ų7585.8 Ų85.862%0.6244%0.438SS*.Hα-helixtrans-66-28.2174.400000111.8M300 T301M300-A304 WeakPolarHBondContact O-CB 3.3Å; M300-A304 PolarHBondContact O-N 2.83Å; T301-A304 PolarHBondContact O-N 3.18Å
305Q42.6Very low55.8Low77 Ų7786.6 Ų86.636%0.3644%0.441SS..Hα-helixtrans-92.1-38.4178.9-77.3-179.2-1800113.4T301 E302 Q303 K307 N308 L311T301-Q305 WeakPolarHBondContact O-CB 3.37Å; T301-Q305 WeakPolarHBondContact O-CG 3.24Å; T301-Q305 PolarHBondContact O-N 2.82Å; E302-Q305 CarbonylContact O-C 3.57Å; E302-Q305 PolarHBondContact O-N 2.77Å; Q303-Q305 PolarHBondContact O-N 3.02Å; Q305-K307 PolarHBondContact O-N 3.37Å; Q305-K307 VanDerWaalsContact O-N 3.13Å; Q305-N308 PolarHBondContact O-N 2.75Å; Q305-L311 HydrophobicContact CB-CD1 3.48Å; Q305-L311 VanDerWaalsContact CB-CD1 3.48Å; Q305-L311 HydrophobicContact CG-CD1 3.78Å; Q305-L311 WeakPolarHBondContact O-CD1 3.41Å
306A45.5Very low56Low38 Ų3886.7 Ų86.731%0.31445%0.445SS..Hα-helixtrans-68.4-6.7178.300000112.8E302 N308E302-A306 WeakPolarHBondContact O-CA 3.29Å; E302-A306 WeakPolarHBondContact O-CB 2.98Å; E302-A306 PolarHBondContact O-N 2.93Å; A306-N308 PolarHBondContact O-N 3.35Å; A306-N308 VanDerWaalsContact O-N 3.09Å
307K46.8Very low56.2Low187 Ų18784.5 Ų84.581%0.81344%0.442SS*.THydrogen-bonded Turntrans-60.7-8.9159.6-126179.3-177.6178.70113.1Q303 Q305Q303-K307 PolarHBondContact O-N 2.74Å; Q305-K307 PolarHBondContact O-N 3.37Å; Q305-K307 VanDerWaalsContact O-N 3.13Å
308N52.1Low56.5Low87 Ų8780.3 Ų80.347%0.46543%0.425SS..SBendtrans-124.3114.4170.7-50.1-64.3000111.6Q305 A306 W310 L311Q305-N308 PolarHBondContact O-N 2.75Å; A306-N308 PolarHBondContact O-N 3.35Å; A306-N308 VanDerWaalsContact O-N 3.09Å; N308-W310 PolarHBondContact O-N 3.49Å; N308-L311 PolarHBondContact O-N 2.78Å
309D57.3Low57Low141 Ų14180.9 Ų80.975%0.75443%0.426SS*.Hα-helixtrans-46.4-26.6176-65.7-22.1000114.8L311 A313D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 2.98Å; D309-A313 PolarHBondContact O-N 3.18Å
310W65.4Low57.4Low173 Ų17383.8 Ų83.866%0.65543%0.434SS*.Hα-helixtrans-67.2-29.2-179.298.3-89.7000113.4N308 A314N308-W310 PolarHBondContact O-N 3.49Å; W310-A314 HydrophobicContact CZ3-CB 4.44Å; W310-A314 WeakPolarHBondContact O-CB 3.46Å; W310-A314 PolarHBondContact O-N 3.39Å
311L54.5Low58Low36 Ų3681 Ų8119%0.18842%0.423CS..Hα-helixtrans-79.3-34-177.8-73.8172.6000112.1Q305 N308 D309 A314 K315Q305-L311 HydrophobicContact CB-CD1 3.48Å; Q305-L311 VanDerWaalsContact CB-CD1 3.48Å; Q305-L311 HydrophobicContact CG-CD1 3.78Å; Q305-L311 WeakPolarHBondContact O-CD1 3.41Å; N308-L311 PolarHBondContact O-N 2.78Å; D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 2.98Å; L311-A314 WeakPolarHBondContact O-CB 3.23Å; L311-A314 PolarHBondContact O-N 2.67Å; L311-K315 WeakPolarHBondContact O-CB 3.48Å; L311-K315 PolarHBondContact O-N 2.69Å
312D56.9Low58.8Low74 Ų7479.4 Ų79.440%0.39641%0.413SS..Hα-helixtrans-67.4-39.3172.7-67.8-22000111.3A314 K315 L316D312-A314 VanDerWaalsContact C-N 3.31Å; D312-A314 PolarHBondContact O-N 3.18Å; D312-K315 PolarHBondContact O-N 2.92Å; D312-L316 WeakPolarHBondContact O-CG 3.27Å; D312-L316 PolarHBondContact O-N 2.91Å
313A64.7Low59.6Low61 Ų6182.3 Ų82.350%0.50443%0.426SS..Hα-helixtrans-62.3-39.5171.700000111.9D309 S317D309-A313 PolarHBondContact O-N 3.18Å; A313-S317 WeakPolarHBondContact O-CB 3.44Å; A313-S317 PolarHBondContact O-N 3.34Å
314A63.2Low60.6Low27 Ų2784.1 Ų84.122%0.22343%0.432CS..Hα-helixtrans-66-43.1174.800000111.8W310 L311 D312 S317 I318W310-A314 HydrophobicContact CZ3-CB 4.44Å; W310-A314 WeakPolarHBondContact O-CB 3.46Å; W310-A314 PolarHBondContact O-N 3.39Å; L311-A314 WeakPolarHBondContact O-CB 3.23Å; L311-A314 PolarHBondContact O-N 2.67Å; D312-A314 VanDerWaalsContact C-N 3.31Å; D312-A314 PolarHBondContact O-N 3.18Å; A314-S317 PolarHBondContact O-N 2.83Å; A314-I318 WeakPolarHBondContact O-CB 3.4Å; A314-I318 WeakPolarHBondContact O-CG1 3.38Å; A314-I318 PolarHBondContact O-N 3.49Å
315K60.9Low61.6Low57 Ų5784 Ų8425%0.24842%0.423CS..Hα-helixtrans-58.4-54.2175.9-179.3176.5174.2177.80111.4E302 L311 D312 S317 I318 E319E302-K315 IonicContact OE1-NZ 2.78Å; E302-K315 PolarHBondContact OE1-NZ 2.64Å; E302-K315 IonicContact OE2-NZ 3.16Å; L311-K315 WeakPolarHBondContact O-CB 3.48Å; L311-K315 PolarHBondContact O-N 2.69Å; D312-K315 PolarHBondContact O-N 2.92Å; K315-S317 VanDerWaalsContact C-N 3.26Å; K315-S317 PolarHBondContact O-N 3.46Å; K315-I318 PolarHBondContact O-N 2.93Å; K315-I318 VanDerWaalsContact O-N 3.15Å; K315-E319 VanDerWaalsContact CE-OE1 3.28Å; K315-E319 WeakPolarHBondContact CE-OE1 3.46Å; K315-E319 WeakPolarHBondContact CG-OE1 3.08Å; K315-E319 WeakPolarHBondContact O-CG 3.28Å; K315-E319 PolarHBondContact O-N 3.25Å
316L65.4Low63.3Low79 Ų7981.1 Ų81.141%0.41442%0.415SS..Hα-helixtrans-62.4-33.2177.6-70.7170.8000112.6D312 R320D312-L316 WeakPolarHBondContact O-CG 3.27Å; D312-L316 PolarHBondContact O-N 2.91Å; L316-R320 WeakPolarHBondContact O-CB 3.04Å; L316-R320 VanDerWaalsContact O-CG 3.29Å; L316-R320 WeakPolarHBondContact O-CG 3.47Å; L316-R320 PolarHBondContact O-N 3.03Å
317S67.4Low65.2Low65 Ų6583.8 Ų83.846%0.45542%0.419SS..Hα-helixtrans-68.8-45.1174.8-175.80000111.4A313 A314 K315 T321A313-S317 WeakPolarHBondContact O-CB 3.44Å; A313-S317 PolarHBondContact O-N 3.34Å; A314-S317 PolarHBondContact O-N 2.83Å; K315-S317 VanDerWaalsContact C-N 3.26Å; K315-S317 PolarHBondContact O-N 3.46Å; S317-T321 VanDerWaalsContact O-CB 3.24Å; S317-T321 WeakPolarHBondContact O-CB 3.48Å; S317-T321 PolarHBondContact O-N 3.49Å; S317-T321 PolarHBondContact O-OG1 3.16Å
318I66.4Low66.9Low26 Ų2679.5 Ų79.513%0.13341%0.405CS..Hα-helixtrans-61.6-47.9177.8-72.2165.4000110A314 K315 T321 I322 L340A314-I318 WeakPolarHBondContact O-CB 3.4Å; A314-I318 WeakPolarHBondContact O-CG1 3.38Å; A314-I318 PolarHBondContact O-N 3.49Å; K315-I318 PolarHBondContact O-N 2.93Å; K315-I318 VanDerWaalsContact O-N 3.15Å; I318-T321 PolarHBondContact O-N 3.5Å; I318-I322 HydrophobicContact CG2-CD1 3.53Å; I318-I322 HydrophobicContact CG2-CG1 4.17Å; I318-I322 WeakPolarHBondContact O-CB 3.27Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.3Å; I318-I322 PolarHBondContact O-N 2.7Å; I318-L340 HydrophobicContact CD1-CD2 4.12Å
319E68.7Low68.3Low44 Ų4475.7 Ų75.721%0.20639%0.386CS..Hα-helixtrans-55.5-55.7177.3-73.1170.1-177.200111.6K315 T321 I322 E323 T347K315-E319 VanDerWaalsContact CE-OE1 3.28Å; K315-E319 WeakPolarHBondContact CE-OE1 3.46Å; K315-E319 WeakPolarHBondContact CG-OE1 3.08Å; K315-E319 WeakPolarHBondContact O-CG 3.28Å; K315-E319 PolarHBondContact O-N 3.25Å; E319-T321 PolarHBondContact O-N 2.97Å; E319-I322 PolarHBondContact O-N 2.56Å; E319-E323 WeakPolarHBondContact O-CG 3.27Å; E319-E323 PolarHBondContact O-N 3.06Å; E319-T347 HydrophobicContact CG-CG2 4.07Å
320R70.3Confident69.5Low144 Ų14469 Ų6954%0.54335%0.35SS..Hα-helixtrans-61.9-30.7178.3-69178.4-168131.30.8113.1L316 K324L316-R320 WeakPolarHBondContact O-CB 3.04Å; L316-R320 VanDerWaalsContact O-CG 3.29Å; L316-R320 WeakPolarHBondContact O-CG 3.47Å; L316-R320 PolarHBondContact O-N 3.03Å; R320-K324 WeakPolarHBondContact O-CB 3.33Å; R320-K324 VanDerWaalsContact O-CG 3.28Å; R320-K324 WeakPolarHBondContact O-CG 3.27Å; R320-K324 PolarHBondContact O-N 3.01Å; R320-K324 VanDerWaalsContact O-N 3.16Å
321T67.8Low70.5Confident54 Ų5461.9 Ų61.933%0.33132%0.324SS..Hα-helixtrans-79.2-36.1179.9-52.40000111.2S317 I318 E319 K324 V325 A329S317-T321 VanDerWaalsContact O-CB 3.24Å; S317-T321 WeakPolarHBondContact O-CB 3.48Å; S317-T321 PolarHBondContact O-N 3.49Å; S317-T321 PolarHBondContact O-OG1 3.16Å; I318-T321 PolarHBondContact O-N 3.5Å; E319-T321 PolarHBondContact O-N 2.97Å; T321-K324 PolarHBondContact O-N 3.32Å; T321-V325 HydrophobicContact CG2-CB 4.39Å; T321-V325 HydrophobicContact CG2-CG2 3.92Å; T321-V325 WeakPolarHBondContact O-CA 3.39Å; T321-V325 WeakPolarHBondContact O-CB 3.16Å; T321-V325 PolarHBondContact O-N 2.97Å; T321-A329 HydrophobicContact CG2-CB 3.73Å; T321-A329 WeakPolarHBondContact O-CB 3.14Å
322I70Confident71.9Confident12 Ų1264 Ų646%0.06234%0.338CS..Hα-helixtrans-64.6-42172.7-70.7172.5000109.9I318 E319 G326 A329 I330 T347 V353I318-I322 HydrophobicContact CG2-CD1 3.53Å; I318-I322 HydrophobicContact CG2-CG1 4.17Å; I318-I322 WeakPolarHBondContact O-CB 3.27Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.3Å; I318-I322 PolarHBondContact O-N 2.7Å; E319-I322 PolarHBondContact O-N 2.56Å; I322-G326 WeakPolarHBondContact O-CA 2.96Å; I322-G326 PolarHBondContact O-N 3.48Å; I322-A329 HydrophobicContact CB-CB 4.44Å; I322-A329 HydrophobicContact CG1-CB 3.84Å; I322-I330 HydrophobicContact CG1-CG1 4.26Å; I322-I330 HydrophobicContact CG2-CG1 4.41Å; I322-T347 HydrophobicContact CD1-CG2 4.36Å; I322-V353 HydrophobicContact CG2-CG2 4.46Å
323E67.9Low72.8Confident132 Ų13260.9 Ų60.962%0.61732%0.323SS*.Hα-helixtrans-63.4-42.6175.7-71.8-179.2162.500112.7E319E319-E323 WeakPolarHBondContact O-CG 3.27Å; E319-E323 PolarHBondContact O-N 3.06Å
324K69.6Low73.5Confident177 Ų17758 Ų5877%0.7730%0.299SS*.Hα-helixtrans-81.8-40.3-175.6-72.6179.6-179-177.20114.3R320 T321R320-K324 WeakPolarHBondContact O-CB 3.33Å; R320-K324 VanDerWaalsContact O-CG 3.28Å; R320-K324 WeakPolarHBondContact O-CG 3.27Å; R320-K324 PolarHBondContact O-N 3.01Å; R320-K324 VanDerWaalsContact O-N 3.16Å; T321-K324 PolarHBondContact O-N 3.32Å
325V71.1Confident74.2Confident73 Ų7358 Ų5844%0.44230%0.297SS..Hα-helixtrans-114.9-17.4-168-158.60000111.7T321 F327 L328 A329T321-V325 HydrophobicContact CG2-CB 4.39Å; T321-V325 HydrophobicContact CG2-CG2 3.92Å; T321-V325 WeakPolarHBondContact O-CA 3.39Å; T321-V325 WeakPolarHBondContact O-CB 3.16Å; T321-V325 PolarHBondContact O-N 2.97Å; V325-F327 PolarHBondContact O-N 2.78Å; V325-L328 HydrophobicContact CG1-CB 3.68Å; V325-L328 HydrophobicContact CG1-CD2 4.13Å; V325-L328 HydrophobicContact CG1-CG 4.43Å; V325-A329 HydrophobicContact CB-CB 4.47Å
326G78.6Confident74.7Confident17 Ų1758.7 Ų58.718%0.17530%0.303CS..THydrogen-bonded Turntrans53.2-98.7174.100000112.8I322 L328 A329 I330I322-G326 WeakPolarHBondContact O-CA 2.96Å; I322-G326 PolarHBondContact O-N 3.48Å; G326-L328 PolarHBondContact O-N 3.06Å; G326-A329 PolarHBondContact O-N 2.65Å; G326-I330 WeakPolarHBondContact O-CD1 3.43Å; G326-I330 VanDerWaalsContact O-CG1 3.23Å; G326-I330 WeakPolarHBondContact O-CG1 3.44Å; G326-I330 PolarHBondContact O-N 3.32Å
327F83.4Confident74.7Confident93 Ų9359.1 Ų59.141%0.40831%0.31SS..Hα-helixtrans-53.9-47.7-173.9-175-88.9000113.9V325 L331 S361 I364V325-F327 PolarHBondContact O-N 2.78Å; F327-L331 HydrophobicContact CE1-CD2 4.46Å; F327-L331 VanDerWaalsContact O-CB 3.3Å; F327-L331 WeakPolarHBondContact O-CB 3.39Å; F327-L331 PolarHBondContact O-N 2.88Å; F327-S361 WeakPolarHBondContact CA-OG 3.47Å; F327-S361 WeakPolarHBondContact CD2-OG 3.43Å; F327-S361 VanDerWaalsContact CE2-OG 3.29Å; F327-S361 WeakPolarHBondContact CE2-OG 3.24Å; F327-S361 VanDerWaalsContact CG-OG 3.29Å; F327-S361 WeakPolarHBondContact CG-OG 3.49Å; F327-S361 PolarHBondContact O-OG 2.78Å; F327-I364 HydrophobicContact CZ-CD1 3.77Å
328L84.4Confident74.5Confident97 Ų9756.4 Ų56.451%0.50829%0.291SS..Hα-helixtrans-71.6-37.6-176.7-17763.8000111.8V325 G326 L331 V332V325-L328 HydrophobicContact CG1-CB 3.68Å; V325-L328 HydrophobicContact CG1-CD2 4.13Å; V325-L328 HydrophobicContact CG1-CG 4.43Å; G326-L328 PolarHBondContact O-N 3.06Å; L328-L331 HydrophobicContact CD1-CD2 4.23Å; L328-L331 WeakPolarHBondContact O-CB 2.89Å; L328-L331 PolarHBondContact O-N 3.03Å; L328-V332 WeakPolarHBondContact O-CG2 3.25Å; L328-V332 PolarHBondContact O-N 3.46Å
329A81.1Confident74.4Confident8 Ų859.3 Ų59.37%0.06631%0.311CS..Hα-helixtrans-61.3-48.5177.300000110.7T321 I322 V325 G326 L331 V332 C333T321-A329 HydrophobicContact CG2-CB 3.73Å; T321-A329 WeakPolarHBondContact O-CB 3.14Å; I322-A329 HydrophobicContact CB-CB 4.44Å; I322-A329 HydrophobicContact CG1-CB 3.84Å; V325-A329 HydrophobicContact CB-CB 4.47Å; G326-A329 PolarHBondContact O-N 2.65Å; A329-L331 VanDerWaalsContact C-N 3.3Å; A329-L331 PolarHBondContact O-N 3.49Å; A329-V332 PolarHBondContact O-N 2.84Å; A329-C333 PolarHBondContact O-N 3.49Å; A329-C333 PolarHBondContact O-SG 3.4Å
330I81.8Confident74.4Confident1 Ų159.7 Ų59.71%0.00532%0.315CS..Hα-helixtrans-62.5-40.6176.9-60.8165000110.2I322 G326 V332 C333 A334 V353 F358 S361 T362I322-I330 HydrophobicContact CG1-CG1 4.26Å; I322-I330 HydrophobicContact CG2-CG1 4.41Å; G326-I330 WeakPolarHBondContact O-CD1 3.43Å; G326-I330 VanDerWaalsContact O-CG1 3.23Å; G326-I330 WeakPolarHBondContact O-CG1 3.44Å; G326-I330 PolarHBondContact O-N 3.32Å; I330-V332 PolarHBondContact O-N 3.44Å; I330-C333 PolarHBondContact O-N 2.87Å; I330-A334 WeakPolarHBondContact O-CB 3.13Å; I330-A334 PolarHBondContact O-N 3.37Å; I330-V353 HydrophobicContact CD1-CG1 4.14Å; I330-F358 HydrophobicContact CG2-CD2 3.96Å; I330-S361 VanDerWaalsContact CG2-CB 3.48Å; I330-T362 HydrophobicContact CG2-CG2 3.97Å
331L85.9Confident74.6Confident23 Ų2352.9 Ų52.912%0.1229%0.289CS..Hα-helixtrans-61.2-44.8178.3179.167.3000111.9F327 L328 A329 A334 S335 S361 I364 I369F327-L331 HydrophobicContact CE1-CD2 4.46Å; F327-L331 VanDerWaalsContact O-CB 3.3Å; F327-L331 WeakPolarHBondContact O-CB 3.39Å; F327-L331 PolarHBondContact O-N 2.88Å; L328-L331 HydrophobicContact CD1-CD2 4.23Å; L328-L331 WeakPolarHBondContact O-CB 2.89Å; L328-L331 PolarHBondContact O-N 3.03Å; A329-L331 VanDerWaalsContact C-N 3.3Å; A329-L331 PolarHBondContact O-N 3.49Å; L331-A334 PolarHBondContact O-N 3.36Å; L331-S335 WeakPolarHBondContact O-CB 3.5Å; L331-S335 PolarHBondContact O-N 2.76Å; L331-S335 PolarHBondContact O-OG 3.44Å; L331-S361 VanDerWaalsContact CD1-O 3.24Å; L331-S361 WeakPolarHBondContact CD1-O 3.33Å; L331-I364 HydrophobicContact CD1-CB 3.84Å; L331-I364 HydrophobicContact CD1-CG2 3.64Å; L331-I369 HydrophobicContact CD1-CD1 3.84Å; L331-I369 HydrophobicContact CD2-CD1 4.21Å; L331-I369 HydrophobicContact CG-CD1 4.05Å
332V83.8Confident74.7Confident79 Ų7952.7 Ų52.748%0.47929%0.286SS..Hα-helixtrans-64.7-48177.6172.10000110.3L328 A329 I330 A334 S335 I336L328-V332 WeakPolarHBondContact O-CG2 3.25Å; L328-V332 PolarHBondContact O-N 3.46Å; A329-V332 PolarHBondContact O-N 2.84Å; I330-V332 PolarHBondContact O-N 3.44Å; V332-A334 VanDerWaalsContact C-N 3.3Å; V332-A334 PolarHBondContact O-N 3.47Å; V332-S335 PolarHBondContact O-N 2.96Å; V332-S335 VanDerWaalsContact O-N 3.15Å; V332-I336 HydrophobicContact CG1-CD1 4.27Å; V332-I336 WeakPolarHBondContact O-CG1 3.03Å
333C77.1Confident74.6Confident10 Ų1054 Ų547%0.06829%0.292CS..Hα-helixtrans-58.8-42.4177.3-63.70000111.6A329 I330 S335 I336 A344A329-C333 PolarHBondContact O-N 3.49Å; A329-C333 PolarHBondContact O-SG 3.4Å; I330-C333 PolarHBondContact O-N 2.87Å; C333-S335 VanDerWaalsContact C-N 3.28Å; C333-S335 PolarHBondContact O-N 3.27Å; C333-I336 PolarHBondContact O-N 3.07Å; C333-A344 HydrophobicContact CB-CB 4.05Å
334A78.9Confident75.1Confident1 Ų147.8 Ų47.81%0.00826%0.264CS..Hα-helixtrans-71.4-20.6-179.700000114.4I330 L331 V332 I336 F341 T362 K366I330-A334 WeakPolarHBondContact O-CB 3.13Å; I330-A334 PolarHBondContact O-N 3.37Å; L331-A334 PolarHBondContact O-N 3.36Å; V332-A334 VanDerWaalsContact C-N 3.3Å; V332-A334 PolarHBondContact O-N 3.47Å; A334-I336 VanDerWaalsContact C-N 3.33Å; A334-F341 HydrophobicContact CB-CD2 3.99Å; A334-F341 HydrophobicContact CB-CE2 4.18Å; A334-T362 HydrophobicContact CB-CG2 3.98Å; A334-K366 WeakPolarHBondContact O-CG 3.44Å
335S77.8Confident75.6Confident26 Ų2639.3 Ų39.318%0.18223%0.227CC..Hα-helixtrans-80.6-15.6177.5-58.90000112.7L331 V332 C333 G365L331-S335 WeakPolarHBondContact O-CB 3.5Å; L331-S335 PolarHBondContact O-N 2.76Å; L331-S335 PolarHBondContact O-OG 3.44Å; V332-S335 PolarHBondContact O-N 2.96Å; V332-S335 VanDerWaalsContact O-N 3.15Å; C333-S335 VanDerWaalsContact C-N 3.28Å; C333-S335 PolarHBondContact O-N 3.27Å; S335-G365 WeakPolarHBondContact OG-CA 3.2Å
336I72Confident75.9Confident71 Ų7137.2 Ų37.236%0.36421%0.213SC..SBendtrans-94.7149.5-178.7-59.1169.1000109.4V332 C333 A334 L340V332-I336 HydrophobicContact CG1-CD1 4.27Å; V332-I336 WeakPolarHBondContact O-CG1 3.03Å; C333-I336 PolarHBondContact O-N 3.07Å; A334-I336 VanDerWaalsContact C-N 3.33Å; I336-L340 HydrophobicContact CB-CD1 3.96Å; I336-L340 HydrophobicContact CD1-CD1 3.96Å; I336-L340 HydrophobicContact CG2-CD1 3.57Å; I336-L340 HydrophobicContact CG2-CG 4.45Å
337P64.7Low75.7Confident89 Ų8937 Ų3758%0.57821%0.208SC*.  trans-43.4152.6176.85.6-25000115.9P339 L340P337-P339 WeakPolarHBondContact O-CD 3.14Å; P337-P339 VanDerWaalsContact O-N 3.07Å; P337-L340 PolarHBondContact O-N 3.29Å
338N64.3Low75.7Confident8 Ų832.5 Ų32.54%0.04319%0.189CC..THydrogen-bonded Turntrans-48-33.6-157.5-70.216.4000119.2G151 G153 L340 F341 D342 K370G151-N338 WeakPolarHBondContact O-CB 3.25Å; G151-N338 PolarHBondContact O-ND2 3.28Å; G153-N338 PolarHBondContact N-ND2 3.47Å; N338-L340 VanDerWaalsContact C-N 3.26Å; N338-L340 PolarHBondContact O-N 3.34Å; N338-F341 WeakPolarHBondContact O-CB 3.38Å; N338-F341 PolarHBondContact O-N 2.99Å; N338-D342 PolarHBondContact O-N 2.79Å; N338-K370 PolarHBondContact OD1-NZ 3.21Å
339P64.3Low75.6Confident87 Ų8727.9 Ų27.957%0.56517%0.165SC*.Hα-helixtrans-57.9-33.9-178.2-28.336.1000114.9P337 F341P337-P339 WeakPolarHBondContact O-CD 3.14Å; P337-P339 VanDerWaalsContact O-N 3.07Å; P339-F341 VanDerWaalsContact C-N 3.32Å
340L67.5Low75.5Confident52 Ų5231.4 Ų31.427%0.27218%0.179SC..Hα-helixtrans-75.9-23.4177.7-69.2-176.8000113I318 I336 P337 N338 A344I318-L340 HydrophobicContact CD1-CD2 4.12Å; I336-L340 HydrophobicContact CB-CD1 3.96Å; I336-L340 HydrophobicContact CD1-CD1 3.96Å; I336-L340 HydrophobicContact CG2-CD1 3.57Å; I336-L340 HydrophobicContact CG2-CG 4.45Å; P337-L340 PolarHBondContact O-N 3.29Å; N338-L340 VanDerWaalsContact C-N 3.26Å; N338-L340 PolarHBondContact O-N 3.34Å; L340-A344 WeakPolarHBondContact O-CB 3.11Å; L340-A344 PolarHBondContact O-N 2.84Å
341F74.2Confident75.5Confident1 Ų135.9 Ų35.90%0.00420%0.199CC..Hα-helixtrans-72.4-48.9-179.9-176.7-81.2000111.1E269 A334 N338 P339 L343 A344 G345 F358 T362 K366E269-F341 HydrophobicContact CB-CD1 3.58Å; E269-F341 HydrophobicContact CB-CE1 3.19Å; E269-F341 HydrophobicContact CB-CZ 3.83Å; E269-F341 HydrophobicContact CG-CD1 4.26Å; E269-F341 HydrophobicContact CG-CE1 4.28Å; E269-F341 WeakPolarHBondContact O-CE1 3.06Å; E269-F341 WeakPolarHBondContact OE2-CB 3.18Å; E269-F341 WeakPolarHBondContact OE2-CD1 3.18Å; E269-F341 WeakPolarHBondContact OE2-CE1 3.43Å; E269-F341 WeakPolarHBondContact OE2-CG 3.46Å; A334-F341 HydrophobicContact CB-CD2 3.99Å; A334-F341 HydrophobicContact CB-CE2 4.18Å; N338-F341 WeakPolarHBondContact O-CB 3.38Å; N338-F341 PolarHBondContact O-N 2.99Å; P339-F341 VanDerWaalsContact C-N 3.32Å; F341-L343 PolarHBondContact O-N 3.18Å; F341-A344 CarbonylContact O-C 3.58Å; F341-A344 PolarHBondContact O-N 2.92Å; F341-G345 PolarHBondContact O-N 3.43Å; F341-F358 HydrophobicContact CE1-CZ 4.07Å; F341-F358 HydrophobicContact CZ-CE2 4.42Å; F341-F358 AromaticContact CZ-CZ 3.81Å; F341-F358 HydrophobicContact CZ-CZ 3.81Å; F341-T362 HydrophobicContact CD2-CG2 4.15Å; F341-T362 HydrophobicContact CE2-CG2 3.2Å; F341-T362 HydrophobicContact CZ-CG2 3.63Å; F341-K366 HydrophobicContact CD2-CD 4.33Å; F341-K366 HydrophobicContact CE2-CD 4.09Å
342D71.5Confident75.3Confident50 Ų5037.9 Ų37.927%0.26721%0.21SC..Hα-helixtrans-57.9-44-178.6-67.3-18.8000109.6N338 G345 I346N338-D342 PolarHBondContact O-N 2.79Å; D342-G345 PolarHBondContact O-N 3.16Å; D342-I346 VanDerWaalsContact O-CD1 3.22Å; D342-I346 WeakPolarHBondContact O-CD1 3.18Å; D342-I346 VanDerWaalsContact O-CG1 3.23Å; D342-I346 WeakPolarHBondContact O-CG1 3.46Å; D342-I346 PolarHBondContact O-N 3.18Å
343L67.9Low75.4Confident38 Ų3835.1 Ų35.120%0.19919%0.193CC..Hα-helixtrans-56.1-53.7172.1-177.863.4000111.9F341 G345 I346 T347F341-L343 PolarHBondContact O-N 3.18Å; L343-G345 PolarHBondContact O-N 2.79Å; L343-I346 PolarHBondContact O-N 3.04Å; L343-T347 WeakPolarHBondContact O-CB 3.42Å; L343-T347 PolarHBondContact O-N 2.67Å; L343-T347 PolarHBondContact O-OG1 3.23Å
344A77Confident75.9Confident2 Ų237.8 Ų37.82%0.01721%0.21CC..Hα-helixtrans-59.4-35.7178.300000112.4C333 L340 F341 C348C333-A344 HydrophobicContact CB-CB 4.05Å; L340-A344 WeakPolarHBondContact O-CB 3.11Å; L340-A344 PolarHBondContact O-N 2.84Å; F341-A344 CarbonylContact O-C 3.58Å; F341-A344 PolarHBondContact O-N 2.92Å; A344-C348 WeakPolarHBondContact O-CB 3.35Å; A344-C348 PolarHBondContact O-N 2.81Å; A344-C348 PolarHBondContact O-SG 3.39Å
345G80.9Confident76.4Confident0 Ų040.1 Ų40.10%022%0.22CC..Hα-helixtrans-63.4-47.8176.200000112.2Y273 F341 D342 L343 C348 G349Y273-G345 WeakPolarHBondContact CA-O 3.4Å; F341-G345 PolarHBondContact O-N 3.43Å; D342-G345 PolarHBondContact O-N 3.16Å; L343-G345 PolarHBondContact O-N 2.79Å; G345-C348 PolarHBondContact O-N 3.03Å; G345-G349 PolarHBondContact O-N 2.6Å
346I76.6Confident77Confident28 Ų2848.1 Ų48.114%0.14425%0.246CC..Hα-helixtrans-64-50.9177.5-61.6151.6000110.4P272 A276 F294 L298 D342 L343 C348 G349 H350P272-I346 HydrophobicContact CB-CG1 4.07Å; A276-I346 HydrophobicContact CB-CG2 4.18Å; A276-I346 WeakPolarHBondContact CB-O 3.21Å; F294-I346 HydrophobicContact CE1-CD1 3.88Å; F294-I346 HydrophobicContact CE1-CG1 3.72Å; F294-I346 HydrophobicContact CZ-CD1 3.54Å; F294-I346 HydrophobicContact CZ-CG1 3.66Å; L298-I346 HydrophobicContact CD1-CD1 3.5Å; L298-I346 VanDerWaalsContact CD1-CD1 3.5Å; L298-I346 HydrophobicContact CD1-CG1 4.25Å; L298-I346 HydrophobicContact CD1-CG2 4.35Å; L298-I346 HydrophobicContact CD2-CD1 3.26Å; L298-I346 HydrophobicContact CG-CD1 3.97Å; D342-I346 VanDerWaalsContact O-CD1 3.22Å; D342-I346 WeakPolarHBondContact O-CD1 3.18Å; D342-I346 VanDerWaalsContact O-CG1 3.23Å; D342-I346 WeakPolarHBondContact O-CG1 3.46Å; D342-I346 PolarHBondContact O-N 3.18Å; L343-I346 PolarHBondContact O-N 3.04Å; I346-C348 VanDerWaalsContact C-N 3.33Å; I346-C348 PolarHBondContact O-N 2.97Å; I346-G349 PolarHBondContact O-N 3.49Å; I346-G349 VanDerWaalsContact O-N 3.1Å; I346-H350 WeakPolarHBondContact O-CB 3.27Å; I346-H350 PolarHBondContact O-N 3.39Å
347T75Confident77.7Confident12 Ų1250.2 Ų50.27%0.07425%0.253CS..Hα-helixtrans-57.2-46.8178.4-57.40000110.8E319 I322 L343 G349 H350 F351E319-T347 HydrophobicContact CG-CG2 4.07Å; I322-T347 HydrophobicContact CD1-CG2 4.36Å; L343-T347 WeakPolarHBondContact O-CB 3.42Å; L343-T347 PolarHBondContact O-N 2.67Å; L343-T347 PolarHBondContact O-OG1 3.23Å; T347-G349 VanDerWaalsContact C-N 3.32Å; T347-G349 PolarHBondContact O-N 2.85Å; T347-H350 PolarHBondContact O-N 2.66Å; T347-F351 HydrophobicContact CG2-CD2 3.63Å; T347-F351 HydrophobicContact CG2-CE2 3.74Å; T347-F351 WeakPolarHBondContact O-CD2 3.2Å; T347-F351 PolarHBondContact O-N 2.88Å
348C83.2Confident78.9Confident0 Ų046 Ų460%023%0.225CC..Hα-helixtrans-65.1-34.9177.3-72.50000112.9Y273 A344 G345 I346 L352 V353 F358Y273-C348 HydrophobicContact CD2-CB 3.95Å; Y273-C348 HydrophobicContact CE2-CB 4.11Å; A344-C348 WeakPolarHBondContact O-CB 3.35Å; A344-C348 PolarHBondContact O-N 2.81Å; A344-C348 PolarHBondContact O-SG 3.39Å; G345-C348 PolarHBondContact O-N 3.03Å; I346-C348 VanDerWaalsContact C-N 3.33Å; I346-C348 PolarHBondContact O-N 2.97Å; C348-L352 PolarHBondContact O-N 3.28Å; C348-V353 HydrophobicContact CB-CB 4Å; C348-V353 HydrophobicContact CB-CG2 4.1Å; C348-V353 WeakPolarHBondContact O-CB 2.93Å; C348-V353 PolarHBondContact O-N 2.83Å; C348-F358 HydrophobicContact CB-CD2 3.82Å; C348-F358 HydrophobicContact CB-CE2 4.35Å; C348-F358 HydrophobicContact CB-CG 4.3Å
349G83Confident80.2Confident0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-68.1-48.2175.500000112R277 G345 I346 T347 L352R277-G349 VanDerWaalsContact CA-O 3.3Å; R277-G349 WeakPolarHBondContact CA-O 3.25Å; G345-G349 PolarHBondContact O-N 2.6Å; I346-G349 PolarHBondContact O-N 3.49Å; I346-G349 VanDerWaalsContact O-N 3.1Å; T347-G349 VanDerWaalsContact C-N 3.32Å; T347-G349 PolarHBondContact O-N 2.85Å; G349-L352 PolarHBondContact O-N 3.45Å; G349-L352 VanDerWaalsContact O-N 3.1Å
350H77.6Confident81.5Confident82 Ų8243.7 Ų43.738%0.3821%0.211SC..Hα-helixtrans-60.9-44.7178.5-176.9-87.6000112.2E280 I346 T347 L352E280-H350 WeakPolarHBondContact CG-O 3.27Å; E280-H350 IonicContact OE2-CD2 2.81Å; E280-H350 IonicContact OE2-NE2 2.96Å; I346-H350 WeakPolarHBondContact O-CB 3.27Å; I346-H350 PolarHBondContact O-N 3.39Å; T347-H350 PolarHBondContact O-N 2.66Å; H350-L352 PolarHBondContact O-N 2.8Å
351F81.4Confident82.5Confident95 Ų9541.2 Ų41.242%0.41720%0.198SC..THydrogen-bonded Turntrans-81.913.5176.2-68.8-67.3000114.1T347 V353T347-F351 HydrophobicContact CG2-CD2 3.63Å; T347-F351 HydrophobicContact CG2-CE2 3.74Å; T347-F351 WeakPolarHBondContact O-CD2 3.2Å; T347-F351 PolarHBondContact O-N 2.88Å; F351-V353 HydrophobicContact CB-CG2 4.38Å; F351-V353 PolarHBondContact O-N 2.79Å; F351-V353 VanDerWaalsContact O-N 3.08Å
352L83.4Confident83.2Confident65 Ų6541.2 Ų41.234%0.3420%0.198SC..THydrogen-bonded Turntrans52.533.3177.6-56.1177.3000114R277 E280 L281 C348 G349 H350R277-L352 HydrophobicContact CG-CD2 3.85Å; E280-L352 HydrophobicContact CB-CD2 3.92Å; E280-L352 HydrophobicContact CB-CG 4.48Å; E280-L352 HydrophobicContact CG-CD1 4.04Å; E280-L352 HydrophobicContact CG-CD2 3.79Å; E280-L352 HydrophobicContact CG-CG 3.84Å; L281-L352 HydrophobicContact CD2-CD1 4.16Å; L281-L352 HydrophobicContact CD2-CD2 3.96Å; L281-L352 HydrophobicContact CG-CD2 3.86Å; C348-L352 PolarHBondContact O-N 3.28Å; G349-L352 PolarHBondContact O-N 3.45Å; G349-L352 VanDerWaalsContact O-N 3.1Å; H350-L352 PolarHBondContact O-N 2.8Å
353V84.7Confident84.2Confident21 Ų2141.5 Ų41.513%0.12720%0.199CC..  trans-58.5132.5178.3176.60000108.9Y273 I322 I330 C348 F351 F355 K357Y273-V353 PolarHBondContact OH-O 3.16Å; I322-V353 HydrophobicContact CG2-CG2 4.46Å; I330-V353 HydrophobicContact CD1-CG1 4.14Å; C348-V353 HydrophobicContact CB-CB 4Å; C348-V353 HydrophobicContact CB-CG2 4.1Å; C348-V353 WeakPolarHBondContact O-CB 2.93Å; C348-V353 PolarHBondContact O-N 2.83Å; F351-V353 HydrophobicContact CB-CG2 4.38Å; F351-V353 PolarHBondContact O-N 2.79Å; F351-V353 VanDerWaalsContact O-N 3.08Å; V353-F355 PolarHBondContact O-N 3.18Å; V353-K357 HydrophobicContact CG1-CB 4.21Å
354P88.3Confident85.4Confident65 Ų6542.7 Ų42.742%0.42221%0.205SC..  trans-53.5134-179.6-28.233.8000112.8W356 K357 F358P354-W356 VanDerWaalsContact C-N 3.29Å; P354-W356 PolarHBondContact O-N 3.13Å; P354-K357 HydrophobicContact CB-CD 4.44Å; P354-K357 HydrophobicContact CB-CG 4.32Å; P354-K357 HydrophobicContact CG-CD 4.23Å; P354-K357 WeakPolarHBondContact O-CB 3.3Å; P354-K357 PolarHBondContact O-N 3.34Å; P354-F358 PolarHBondContact O-N 3.26Å
355F89.6Confident86Confident51 Ų5142.6 Ų42.622%0.22420%0.204CC..Hα-helixtrans-50.7-47.5-175.4169.4-101.9000112.4L270 Y273 F274 V353 K357 F358 F359L270-F355 HydrophobicContact CD1-CE2 3.98Å; L270-F355 HydrophobicContact CD2-CE2 4Å; L270-F355 HydrophobicContact CD2-CZ 4.45Å; L270-F355 HydrophobicContact CG-CE2 4.35Å; Y273-F355 HydrophobicContact CD1-CD2 4.38Å; Y273-F355 HydrophobicContact CE1-CB 4.31Å; Y273-F355 AromaticContact CE1-CD2 3.81Å; Y273-F355 HydrophobicContact CE1-CD2 3.81Å; Y273-F355 VanDerWaalsContact OH-CA 3.23Å; Y273-F355 WeakPolarHBondContact OH-CA 3.28Å; Y273-F355 PolarHBondContact OH-N 2.88Å; Y273-F355 VanDerWaalsContact OH-N 3.17Å; F274-F355 HydrophobicContact CE1-CD2 4.21Å; F274-F355 HydrophobicContact CE2-CE2 4.11Å; F274-F355 AromaticContact CZ-CD2 3.73Å; F274-F355 HydrophobicContact CZ-CD2 3.73Å; F274-F355 AromaticContact CZ-CE2 3.63Å; F274-F355 HydrophobicContact CZ-CE2 3.63Å; V353-F355 PolarHBondContact O-N 3.18Å; F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 2.92Å; F355-F358 PolarHBondContact O-N 2.89Å; F355-F359 HydrophobicContact CD1-CB 4.41Å; F355-F359 HydrophobicContact CD2-CB 4.24Å; F355-F359 HydrophobicContact CE1-CB 3.97Å; F355-F359 HydrophobicContact CE1-CD1 4.09Å; F355-F359 HydrophobicContact CE1-CG 4.15Å; F355-F359 HydrophobicContact CE2-CB 3.79Å; F355-F359 HydrophobicContact CE2-CG 4.15Å; F355-F359 HydrophobicContact CZ-CB 3.63Å; F355-F359 AromaticContact CZ-CD1 3.92Å; F355-F359 HydrophobicContact CZ-CD1 3.92Å; F355-F359 HydrophobicContact CZ-CD2 4.22Å; F355-F359 AromaticContact CZ-CG 3.64Å; F355-F359 HydrophobicContact CZ-CG 3.64Å; F355-F359 VanDerWaalsContact O-CB 3.28Å; F355-F359 WeakPolarHBondContact O-CB 3.39Å; F355-F359 PolarHBondContact O-N 3.4Å
356W89.1Confident86.3Confident194 Ų19442.6 Ų42.674%0.73520%0.204SC*.Hα-helixtrans-66.8-27.1-178.4-73.8108.8000114.2P354 F359 G360P354-W356 VanDerWaalsContact C-N 3.29Å; P354-W356 PolarHBondContact O-N 3.13Å; W356-F359 HydrophobicContact CE3-CD1 4.4Å; W356-F359 HydrophobicContact CZ3-CD1 4.2Å; W356-G360 WeakPolarHBondContact O-CA 3.11Å; W356-G360 PolarHBondContact O-N 3.29Å
357K88.2Confident87Confident115 Ų11541.4 Ų41.450%0.520%0.198SC..Hα-helixtrans-69.9-46.7172.8-71.9-174.1-179.6176.40110.1V353 P354 F355 S361V353-K357 HydrophobicContact CG1-CB 4.21Å; P354-K357 HydrophobicContact CB-CD 4.44Å; P354-K357 HydrophobicContact CB-CG 4.32Å; P354-K357 HydrophobicContact CG-CD 4.23Å; P354-K357 WeakPolarHBondContact O-CB 3.3Å; P354-K357 PolarHBondContact O-N 3.34Å; F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 2.92Å; K357-S361 WeakPolarHBondContact O-CB 3.29Å; K357-S361 PolarHBondContact O-N 3.13Å; K357-S361 PolarHBondContact O-OG 3.3Å; K357-S361 VanDerWaalsContact O-OG 3.09Å
358F88.9Confident87.8Confident0 Ų044.7 Ų44.70%022%0.215CC..Hα-helixtrans-65.8-58.8177.5172.9-109.4000111.7L270 Y273 I330 F341 C348 P354 F355 G360 S361 T362L270-F358 HydrophobicContact CD1-CD1 4.36Å; L270-F358 HydrophobicContact CD1-CE1 3.9Å; Y273-F358 VanDerWaalsContact CB-CE1 3.45Å; Y273-F358 HydrophobicContact CD1-CD1 4.08Å; Y273-F358 HydrophobicContact CD1-CE1 4.28Å; Y273-F358 HydrophobicContact CD2-CB 4.31Å; Y273-F358 AromaticContact CD2-CD1 3.48Å; Y273-F358 HydrophobicContact CD2-CD1 3.48Å; Y273-F358 VanDerWaalsContact CD2-CD1 3.48Å; Y273-F358 HydrophobicContact CD2-CD2 4.36Å; Y273-F358 AromaticContact CD2-CE1 3.8Å; Y273-F358 HydrophobicContact CD2-CE1 3.8Å; Y273-F358 AromaticContact CD2-CG 3.79Å; Y273-F358 HydrophobicContact CD2-CG 3.79Å; Y273-F358 HydrophobicContact CD2-CZ 4.38Å; Y273-F358 HydrophobicContact CE1-CD1 4.49Å; Y273-F358 HydrophobicContact CE2-CB 4.03Å; Y273-F358 AromaticContact CE2-CD1 3.94Å; Y273-F358 HydrophobicContact CE2-CD1 3.94Å; Y273-F358 HydrophobicContact CE2-CG 4.03Å; Y273-F358 AromaticContact CG-CD1 3.56Å; Y273-F358 HydrophobicContact CG-CD1 3.56Å; Y273-F358 AromaticContact CG-CE1 3.57Å; Y273-F358 HydrophobicContact CG-CE1 3.57Å; Y273-F358 HydrophobicContact CG-CG 4.33Å; Y273-F358 HydrophobicContact CG-CZ 4.36Å; I330-F358 HydrophobicContact CG2-CD2 3.96Å; F341-F358 HydrophobicContact CE1-CZ 4.07Å; F341-F358 HydrophobicContact CZ-CE2 4.42Å; F341-F358 AromaticContact CZ-CZ 3.81Å; F341-F358 HydrophobicContact CZ-CZ 3.81Å; C348-F358 HydrophobicContact CB-CD2 3.82Å; C348-F358 HydrophobicContact CB-CE2 4.35Å; C348-F358 HydrophobicContact CB-CG 4.3Å; P354-F358 PolarHBondContact O-N 3.26Å; F355-F358 PolarHBondContact O-N 2.89Å; F358-G360 PolarHBondContact O-N 3.49Å; F358-S361 PolarHBondContact O-N 2.03Å; F358-T362 HydrophobicContact CD2-CG2 3.83Å; F358-T362 HydrophobicContact CE1-CG2 4.4Å; F358-T362 HydrophobicContact CE2-CG2 3.52Å; F358-T362 HydrophobicContact CG-CG2 4.39Å; F358-T362 HydrophobicContact CZ-CG2 3.84Å; F358-T362 WeakPolarHBondContact O-CB 3.35Å; F358-T362 WeakPolarHBondContact O-CG2 3.33Å; F358-T362 PolarHBondContact O-N 2.83Å; F358-T362 PolarHBondContact O-OG1 3.15Å
359F91.3Very high88.1Confident29 Ų2947.5 Ų47.513%0.12723%0.229CC..Hα-helixtrans-61.4-39.9-177.7-176.8-113.5000112.7L267 L270 F355 W356 T362 L363L267-F359 HydrophobicContact CD2-CE2 3.74Å; L267-F359 HydrophobicContact CD2-CZ 3.83Å; L267-F359 HydrophobicContact CG-CE2 4.39Å; L270-F359 HydrophobicContact CD1-CD2 3.82Å; F355-F359 HydrophobicContact CD1-CB 4.41Å; F355-F359 HydrophobicContact CD2-CB 4.24Å; F355-F359 HydrophobicContact CE1-CB 3.97Å; F355-F359 HydrophobicContact CE1-CD1 4.09Å; F355-F359 HydrophobicContact CE1-CG 4.15Å; F355-F359 HydrophobicContact CE2-CB 3.79Å; F355-F359 HydrophobicContact CE2-CG 4.15Å; F355-F359 HydrophobicContact CZ-CB 3.63Å; F355-F359 AromaticContact CZ-CD1 3.92Å; F355-F359 HydrophobicContact CZ-CD1 3.92Å; F355-F359 HydrophobicContact CZ-CD2 4.22Å; F355-F359 AromaticContact CZ-CG 3.64Å; F355-F359 HydrophobicContact CZ-CG 3.64Å; F355-F359 VanDerWaalsContact O-CB 3.28Å; F355-F359 WeakPolarHBondContact O-CB 3.39Å; F355-F359 PolarHBondContact O-N 3.4Å; W356-F359 HydrophobicContact CE3-CD1 4.4Å; W356-F359 HydrophobicContact CZ3-CD1 4.2Å; F359-T362 VanDerWaalsContact C-OG1 3.3Å; F359-T362 WeakPolarHBondContact CA-OG1 3.22Å; F359-T362 PolarHBondContact O-N 3.39Å; F359-T362 PolarHBondContact O-OG1 3.26Å; F359-L363 HydrophobicContact CE1-CD2 4.24Å; F359-L363 HydrophobicContact CZ-CD1 4.46Å; F359-L363 HydrophobicContact CZ-CD2 4.33Å; F359-L363 WeakPolarHBondContact O-CB 3.43Å; F359-L363 PolarHBondContact O-N 3.22Å
360G91.4Very high88.3Confident17 Ų1748.5 Ų48.518%0.17523%0.234CC..Hα-helixtrans-63.1-50.3176.900000112.4W356 F358 T362 L363 I364W356-G360 WeakPolarHBondContact O-CA 3.11Å; W356-G360 PolarHBondContact O-N 3.29Å; F358-G360 PolarHBondContact O-N 3.49Å; G360-T362 VanDerWaalsContact C-N 3.34Å; G360-T362 PolarHBondContact O-N 3.27Å; G360-L363 PolarHBondContact O-N 3.08Å; G360-I364 WeakPolarHBondContact O-CD1 3.42Å; G360-I364 VanDerWaalsContact O-CG1 3.3Å; G360-I364 WeakPolarHBondContact O-CG1 3.33Å; G360-I364 PolarHBondContact O-N 3.23Å; G360-I364 VanDerWaalsContact O-N 3.08Å
361S90.2Very high88.8Confident0 Ų044.7 Ų44.70%022%0.216CC..Hα-helixtrans-60.8-43.1176.7-71.30000112.3F327 I330 L331 K357 F358 I364 G365F327-S361 WeakPolarHBondContact CA-OG 3.47Å; F327-S361 WeakPolarHBondContact CD2-OG 3.43Å; F327-S361 VanDerWaalsContact CE2-OG 3.29Å; F327-S361 WeakPolarHBondContact CE2-OG 3.24Å; F327-S361 VanDerWaalsContact CG-OG 3.29Å; F327-S361 WeakPolarHBondContact CG-OG 3.49Å; F327-S361 PolarHBondContact O-OG 2.78Å; I330-S361 VanDerWaalsContact CG2-CB 3.48Å; L331-S361 VanDerWaalsContact CD1-O 3.24Å; L331-S361 WeakPolarHBondContact CD1-O 3.33Å; K357-S361 WeakPolarHBondContact O-CB 3.29Å; K357-S361 PolarHBondContact O-N 3.13Å; K357-S361 PolarHBondContact O-OG 3.3Å; K357-S361 VanDerWaalsContact O-OG 3.09Å; F358-S361 PolarHBondContact O-N 2.03Å; S361-I364 PolarHBondContact O-N 3.46Å; S361-G365 PolarHBondContact O-N 2.99Å
362T88.6Confident89.3Confident1 Ų142.8 Ų42.81%0.00621%0.208CC..Hα-helixtrans-68.7-42-178.651.20000112.5I330 A334 F341 F358 F359 G360 I364 G365 K366I330-T362 HydrophobicContact CG2-CG2 3.97Å; A334-T362 HydrophobicContact CB-CG2 3.98Å; F341-T362 HydrophobicContact CD2-CG2 4.15Å; F341-T362 HydrophobicContact CE2-CG2 3.2Å; F341-T362 HydrophobicContact CZ-CG2 3.63Å; F358-T362 HydrophobicContact CD2-CG2 3.83Å; F358-T362 HydrophobicContact CE1-CG2 4.4Å; F358-T362 HydrophobicContact CE2-CG2 3.52Å; F358-T362 HydrophobicContact CG-CG2 4.39Å; F358-T362 HydrophobicContact CZ-CG2 3.84Å; F358-T362 WeakPolarHBondContact O-CB 3.35Å; F358-T362 WeakPolarHBondContact O-CG2 3.33Å; F358-T362 PolarHBondContact O-N 2.83Å; F358-T362 PolarHBondContact O-OG1 3.15Å; F359-T362 VanDerWaalsContact C-OG1 3.3Å; F359-T362 WeakPolarHBondContact CA-OG1 3.22Å; F359-T362 PolarHBondContact O-N 3.39Å; F359-T362 PolarHBondContact O-OG1 3.26Å; G360-T362 VanDerWaalsContact C-N 3.34Å; G360-T362 PolarHBondContact O-N 3.27Å; T362-I364 PolarHBondContact O-N 3.21Å; T362-G365 PolarHBondContact O-N 3Å; T362-K366 WeakPolarHBondContact O-CB 3.4Å; T362-K366 PolarHBondContact O-N 2.98Å
363L92.5Very high89.5Confident56 Ų5643.8 Ų43.829%0.29321%0.213SC..Hα-helixtrans-60.9-44.8174.9-175.566.9000111A263 A266 F359 G360 A367A263-L363 HydrophobicContact CB-CD1 3.69Å; A266-L363 HydrophobicContact CB-CD1 4.33Å; F359-L363 HydrophobicContact CE1-CD2 4.24Å; F359-L363 HydrophobicContact CZ-CD1 4.46Å; F359-L363 HydrophobicContact CZ-CD2 4.33Å; F359-L363 WeakPolarHBondContact O-CB 3.43Å; F359-L363 PolarHBondContact O-N 3.22Å; G360-L363 PolarHBondContact O-N 3.08Å; L363-A367 HydrophobicContact CD1-CB 4.04Å; L363-A367 HydrophobicContact CG-CB 4.47Å; L363-A367 WeakPolarHBondContact O-CA 3.24Å; L363-A367 WeakPolarHBondContact O-CB 3.29Å; L363-A367 PolarHBondContact O-N 3.48Å
364I92.2Very high89.7Confident63 Ų6344.3 Ų44.332%0.32321%0.214SC..Iπ-helixtrans-66.5-46.3177.4-65.8163.2000110.6F327 L331 G360 S361 T362 K366 I368 I369F327-I364 HydrophobicContact CZ-CD1 3.77Å; L331-I364 HydrophobicContact CD1-CB 3.84Å; L331-I364 HydrophobicContact CD1-CG2 3.64Å; G360-I364 WeakPolarHBondContact O-CD1 3.42Å; G360-I364 VanDerWaalsContact O-CG1 3.3Å; G360-I364 WeakPolarHBondContact O-CG1 3.33Å; G360-I364 PolarHBondContact O-N 3.23Å; G360-I364 VanDerWaalsContact O-N 3.08Å; S361-I364 PolarHBondContact O-N 3.46Å; T362-I364 PolarHBondContact O-N 3.21Å; I364-K366 PolarHBondContact O-N 2.78Å; I364-I368 HydrophobicContact CG1-CD1 4.48Å; I364-I368 HydrophobicContact CG2-CD1 4.36Å; I364-I368 WeakPolarHBondContact O-CA 3.44Å; I364-I368 VanDerWaalsContact O-CB 3.28Å; I364-I368 WeakPolarHBondContact O-CB 3.44Å; I364-I368 PolarHBondContact O-N 3.44Å; I364-I369 PolarHBondContact O-N 3.49Å
365G88.9Confident89.7Confident0 Ų041.3 Ų41.30%020%0.195CC..Iπ-helixtrans-60.2-44.5-179.900000112.4S335 S361 T362 I369 K370S335-G365 WeakPolarHBondContact OG-CA 3.2Å; S361-G365 PolarHBondContact O-N 2.99Å; T362-G365 PolarHBondContact O-N 3Å; G365-I369 WeakPolarHBondContact O-CB 3.46Å; G365-I369 PolarHBondContact O-N 3.23Å; G365-K370 WeakPolarHBondContact O-CB 3.35Å; G365-K370 PolarHBondContact O-N 3.28Å
366K88.2Confident89.7Confident0 Ų043.2 Ų43.20%020%0.203CC..Iπ-helixtrans-85.6-51.8-178.9-70.5-174.6-174-87.80113.6A266 E269 A334 F341 T362 I364 I368 K370 T371A266-K366 HydrophobicContact CB-CB 4.3Å; A266-K366 HydrophobicContact CB-CD 4.1Å; E269-K366 VanDerWaalsContact CD-CE 3.48Å; E269-K366 IonicContact OE1-NZ 3.87Å; E269-K366 PolarHBondContact OE1-NZ 2.87Å; E269-K366 WeakPolarHBondContact OE2-CE 3.37Å; E269-K366 IonicContact OE2-NZ 3.78Å; E269-K366 PolarHBondContact OE2-NZ 2.84Å; A334-K366 WeakPolarHBondContact O-CG 3.44Å; F341-K366 HydrophobicContact CD2-CD 4.33Å; F341-K366 HydrophobicContact CE2-CD 4.09Å; T362-K366 WeakPolarHBondContact O-CB 3.4Å; T362-K366 PolarHBondContact O-N 2.98Å; I364-K366 PolarHBondContact O-N 2.78Å; K366-I368 VanDerWaalsContact C-N 3.34Å; K366-I368 PolarHBondContact O-N 3.4Å; K366-K370 HydrophobicContact CG-CD 4.41Å; K366-T371 WeakPolarHBondContact O-CG2 3.43Å; K366-T371 PolarHBondContact O-N 3.44Å
367A91.2Very high89.6Confident3 Ų340.5 Ų40.53%0.02520%0.197CC..Iπ-helixtrans-74.7-24.6-173.600000113.3I259 A263 L363 T371I259-A367 HydrophobicContact CG2-CB 4.24Å; A263-A367 HydrophobicContact CB-CB 4.15Å; L363-A367 HydrophobicContact CD1-CB 4.04Å; L363-A367 HydrophobicContact CG-CB 4.47Å; L363-A367 WeakPolarHBondContact O-CA 3.24Å; L363-A367 WeakPolarHBondContact O-CB 3.29Å; L363-A367 PolarHBondContact O-N 3.48Å; A367-T371 VanDerWaalsContact C-OG1 3.24Å; A367-T371 PolarHBondContact O-OG1 2.91Å
368I91.3Very high89.5Confident81 Ų8135.9 Ų35.942%0.41518%0.178SC..Iπ-helixtrans-110.9-65.7180-52.1178.8000110.1I364 K366 T371 H372I364-I368 HydrophobicContact CG1-CD1 4.48Å; I364-I368 HydrophobicContact CG2-CD1 4.36Å; I364-I368 WeakPolarHBondContact O-CA 3.44Å; I364-I368 VanDerWaalsContact O-CB 3.28Å; I364-I368 WeakPolarHBondContact O-CB 3.44Å; I364-I368 PolarHBondContact O-N 3.44Å; K366-I368 VanDerWaalsContact C-N 3.34Å; K366-I368 PolarHBondContact O-N 3.4Å; I368-T371 PolarHBondContact O-OG1 3.46Å; I368-T371 VanDerWaalsContact O-OG1 3.12Å; I368-H372 VanDerWaalsContact O-CB 3.22Å; I368-H372 WeakPolarHBondContact O-CB 3.49Å; I368-H372 PolarHBondContact O-N 2.74Å; I368-H372 PolarHBondContact O-ND1 2.9Å
369I89.3Confident89.3Confident59 Ų5935.9 Ų35.930%0.30318%0.178SC..Iπ-helixtrans-66.3-59.3-169-59.2176.8000111.4L331 I364 G365 T371 H372 I373L331-I369 HydrophobicContact CD1-CD1 3.84Å; L331-I369 HydrophobicContact CD2-CD1 4.21Å; L331-I369 HydrophobicContact CG-CD1 4.05Å; I364-I369 PolarHBondContact O-N 3.49Å; G365-I369 WeakPolarHBondContact O-CB 3.46Å; G365-I369 PolarHBondContact O-N 3.23Å; I369-T371 PolarHBondContact O-N 2.63Å; I369-H372 PolarHBondContact O-N 3.13Å; I369-I373 HydrophobicContact CG2-CD1 3.8Å; I369-I373 WeakPolarHBondContact O-CG1 3.13Å; I369-I373 PolarHBondContact O-N 2.97Å
370K88.2Confident89Confident22 Ų2235.4 Ų35.410%0.09618%0.177CC..Iπ-helixtrans-58.1-48.4-178-178-177.8175.8-178.20111.8N338 G365 K366 H372 I373 Q374N338-K370 PolarHBondContact OD1-NZ 3.21Å; G365-K370 WeakPolarHBondContact O-CB 3.35Å; G365-K370 PolarHBondContact O-N 3.28Å; K366-K370 HydrophobicContact CG-CD 4.41Å; K370-H372 VanDerWaalsContact C-N 3.32Å; K370-H372 PolarHBondContact O-N 3.43Å; K370-I373 PolarHBondContact O-N 3.03Å; K370-Q374 HydrophobicContact CG-CG 4.48Å; K370-Q374 WeakPolarHBondContact O-CB 3.27Å; K370-Q374 WeakPolarHBondContact O-CG 3.08Å; K370-Q374 PolarHBondContact O-N 2.9Å
371T88.1Confident88.3Confident2 Ų235.9 Ų35.91%0.01218%0.179CC..Hα-helixtrans-63.8-36.2179.958.30000112.5S258 K366 A367 I368 I369 K375S258-T371 WeakPolarHBondContact O-CG2 3.21Å; K366-T371 WeakPolarHBondContact O-CG2 3.43Å; K366-T371 PolarHBondContact O-N 3.44Å; A367-T371 VanDerWaalsContact C-OG1 3.24Å; A367-T371 PolarHBondContact O-OG1 2.91Å; I368-T371 PolarHBondContact O-OG1 3.46Å; I368-T371 VanDerWaalsContact O-OG1 3.12Å; I369-T371 PolarHBondContact O-N 2.63Å; T371-K375 WeakPolarHBondContact O-CB 2.87Å; T371-K375 VanDerWaalsContact O-CG 3.29Å; T371-K375 WeakPolarHBondContact O-CG 3.46Å; T371-K375 PolarHBondContact O-N 3.21Å
372H90.7Very high87.6Confident55 Ų5537.9 Ų37.926%0.25519%0.188SC..Hα-helixtrans-71-38.3179.1-75.461.7000112.1M251 I368 I369 K370 K375 F376M251-H372 HydrophobicContact CE-CB 4.49Å; I368-H372 VanDerWaalsContact O-CB 3.22Å; I368-H372 WeakPolarHBondContact O-CB 3.49Å; I368-H372 PolarHBondContact O-N 2.74Å; I368-H372 PolarHBondContact O-ND1 2.9Å; I369-H372 PolarHBondContact O-N 3.13Å; K370-H372 VanDerWaalsContact C-N 3.32Å; K370-H372 PolarHBondContact O-N 3.43Å; H372-K375 WeakPolarHBondContact CD2-CE 3.34Å; H372-K375 PolarHBondContact CD2-NZ 3.03Å; H372-K375 PolarHBondContact CE1-NZ 3.43Å; H372-K375 PolarHBondContact NE2-NZ 3.09Å; H372-K375 WeakPolarHBondContact O-CG 3.25Å; H372-F376 VanDerWaalsContact O-CB 3.23Å; H372-F376 WeakPolarHBondContact O-CB 3.22Å; H372-F376 PolarHBondContact O-N 2.98Å
373I88.6Confident86.9Confident86 Ų8637.9 Ų37.944%0.44119%0.188SC..Hα-helixtrans-64-50.3173.1-65.3168.4000109.8I369 K370 K375 F376 F377I369-I373 HydrophobicContact CG2-CD1 3.8Å; I369-I373 WeakPolarHBondContact O-CG1 3.13Å; I369-I373 PolarHBondContact O-N 2.97Å; K370-I373 PolarHBondContact O-N 3.03Å; I373-K375 PolarHBondContact O-N 3.42Å; I373-F376 PolarHBondContact O-N 3.47Å; I373-F377 HydrophobicContact CG2-CD2 3.78Å; I373-F377 HydrophobicContact CG2-CE2 3.59Å; I373-F377 WeakPolarHBondContact O-CD2 3.37Å; I373-F377 PolarHBondContact O-N 2.9Å; I373-F377 VanDerWaalsContact O-N 3.09Å
374Q87.8Confident85.7Confident32 Ų3240.6 Ų40.615%0.1520%0.199CC..Hα-helixtrans-59.8-48.4-179.7-75-178.1-41.500112.6F157 K370 F376 F377 V378F157-Q374 HydrophobicContact CE1-CB 4.4Å; F157-Q374 HydrophobicContact CE2-CB 3.78Å; F157-Q374 HydrophobicContact CE2-CG 4.45Å; F157-Q374 HydrophobicContact CZ-CB 3.72Å; F157-Q374 HydrophobicContact CZ-CG 4.44Å; K370-Q374 HydrophobicContact CG-CG 4.48Å; K370-Q374 WeakPolarHBondContact O-CB 3.27Å; K370-Q374 WeakPolarHBondContact O-CG 3.08Å; K370-Q374 PolarHBondContact O-N 2.9Å; Q374-F376 VanDerWaalsContact C-N 3.33Å; Q374-F376 PolarHBondContact O-N 3.19Å; Q374-F377 PolarHBondContact O-N 3.34Å; Q374-V378 WeakPolarHBondContact O-CG2 3.39Å; Q374-V378 PolarHBondContact O-N 3.4Å; Q374-V378 VanDerWaalsContact O-N 3.1Å
375K89.4Confident84.5Confident2 Ų244.3 Ų44.31%0.00922%0.215CC..Hα-helixtrans-65.6-36.1178.976.7-170-176.9178.30112.4I165 M251 V254 T371 H372 I373 V378 I379I165-K375 HydrophobicContact CD1-CB 3.69Å; M251-K375 HydrophobicContact CE-CD 4.33Å; M251-K375 HydrophobicContact CE-CG 4.11Å; M251-K375 HydrophobicContact CG-CD 4.47Å; M251-K375 HydrophobicContact CG-CG 4.27Å; M251-K375 PolarHBondContact O-NZ 2.97Å; M251-K375 VanDerWaalsContact O-NZ 3.09Å; V254-K375 HydrophobicContact CG2-CD 4.38Å; T371-K375 WeakPolarHBondContact O-CB 2.87Å; T371-K375 VanDerWaalsContact O-CG 3.29Å; T371-K375 WeakPolarHBondContact O-CG 3.46Å; T371-K375 PolarHBondContact O-N 3.21Å; H372-K375 WeakPolarHBondContact CD2-CE 3.34Å; H372-K375 PolarHBondContact CD2-NZ 3.03Å; H372-K375 PolarHBondContact CE1-NZ 3.43Å; H372-K375 PolarHBondContact NE2-NZ 3.09Å; H372-K375 WeakPolarHBondContact O-CG 3.25Å; I373-K375 PolarHBondContact O-N 3.42Å; K375-V378 PolarHBondContact O-N 2.67Å; K375-I379 WeakPolarHBondContact O-CB 3.47Å; K375-I379 WeakPolarHBondContact O-CD1 3.11Å; K375-I379 WeakPolarHBondContact O-CG1 3.32Å; K375-I379 PolarHBondContact O-N 2.99Å
376F89.8Confident83.5Confident90 Ų9047.3 Ų47.340%0.39523%0.229SC..Hα-helixtrans-60.2-48.9175.7173.9-98.1000111I247 M251 H372 I373 Q374 V378 I379 V380I247-F376 HydrophobicContact CG2-CD2 4Å; I247-F376 HydrophobicContact CG2-CE2 4.19Å; M251-F376 HydrophobicContact CE-CB 4.26Å; M251-F376 HydrophobicContact SD-CB 4.37Å; M251-F376 HydrophobicContact SD-CD2 4.11Å; H372-F376 VanDerWaalsContact O-CB 3.23Å; H372-F376 WeakPolarHBondContact O-CB 3.22Å; H372-F376 PolarHBondContact O-N 2.98Å; I373-F376 PolarHBondContact O-N 3.47Å; Q374-F376 VanDerWaalsContact C-N 3.33Å; Q374-F376 PolarHBondContact O-N 3.19Å; F376-V378 VanDerWaalsContact C-N 3.33Å; F376-V378 PolarHBondContact O-N 2.66Å; F376-I379 PolarHBondContact O-N 3.12Å; F376-V380 HydrophobicContact CD1-CG2 4.33Å; F376-V380 HydrophobicContact CD2-CG2 4.17Å; F376-V380 HydrophobicContact CE1-CG2 3.96Å; F376-V380 HydrophobicContact CE2-CG2 3.79Å; F376-V380 HydrophobicContact CG-CG2 4.44Å; F376-V380 HydrophobicContact CZ-CG2 3.68Å; F376-V380 WeakPolarHBondContact O-CB 3.32Å; F376-V380 VanDerWaalsContact O-CG2 3.29Å; F376-V380 WeakPolarHBondContact O-CG2 3.35Å; F376-V380 PolarHBondContact O-N 3.43Å
377F86.7Confident82.6Confident138 Ų13848 Ų4861%0.60523%0.232SC*.Hα-helixtrans-60.2-41.5177.3-81.9-67.1000112.5I373 Q374 A381I373-F377 HydrophobicContact CG2-CD2 3.78Å; I373-F377 HydrophobicContact CG2-CE2 3.59Å; I373-F377 WeakPolarHBondContact O-CD2 3.37Å; I373-F377 PolarHBondContact O-N 2.9Å; I373-F377 VanDerWaalsContact O-N 3.09Å; Q374-F377 PolarHBondContact O-N 3.34Å; F377-A381 VanDerWaalsContact O-CB 3.3Å; F377-A381 WeakPolarHBondContact O-CB 3.48Å; F377-A381 PolarHBondContact O-N 3.05Å
378V85.7Confident81.6Confident18 Ų1851.1 Ų51.111%0.10925%0.246CC..Hα-helixtrans-64.6-48.7176.51780000111.2F157 I165 A166 Q374 K375 F376 V380 A381 F382F157-V378 HydrophobicContact CE1-CG2 3.87Å; F157-V378 HydrophobicContact CZ-CG2 3.65Å; I165-V378 HydrophobicContact CB-CB 4.49Å; I165-V378 HydrophobicContact CB-CG1 3.91Å; I165-V378 HydrophobicContact CG2-CB 3.95Å; I165-V378 HydrophobicContact CG2-CG1 3.61Å; A166-V378 HydrophobicContact CB-CG1 4.44Å; Q374-V378 WeakPolarHBondContact O-CG2 3.39Å; Q374-V378 PolarHBondContact O-N 3.4Å; Q374-V378 VanDerWaalsContact O-N 3.1Å; K375-V378 PolarHBondContact O-N 2.67Å; F376-V378 VanDerWaalsContact C-N 3.33Å; F376-V378 PolarHBondContact O-N 2.66Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.22Å; V378-A381 PolarHBondContact O-N 3.04Å; V378-A381 VanDerWaalsContact O-N 3.17Å; V378-F382 HydrophobicContact CG1-CD2 3.88Å; V378-F382 HydrophobicContact CG1-CE2 4.14Å; V378-F382 WeakPolarHBondContact O-CD2 3.35Å; V378-F382 PolarHBondContact O-N 3.42Å
379I86.1Confident80.6Confident0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-61.9-41.1-179-65.9162.7000111.1I165 T169 I247 I250 M251 K375 F376 F382 S383I165-I379 HydrophobicContact CG2-CD1 4.27Å; I165-I379 HydrophobicContact CG2-CG1 3.62Å; T169-I379 HydrophobicContact CG2-CG2 4.18Å; I247-I379 HydrophobicContact CB-CG2 4.36Å; I247-I379 HydrophobicContact CG1-CG2 4.24Å; I247-I379 HydrophobicContact CG2-CG2 3.97Å; I250-I379 HydrophobicContact CB-CD1 4.24Å; I250-I379 HydrophobicContact CB-CG2 4.29Å; I250-I379 HydrophobicContact CD1-CG2 4.11Å; I250-I379 HydrophobicContact CG2-CD1 3.73Å; I250-I379 HydrophobicContact CG2-CG1 3.84Å; I250-I379 HydrophobicContact CG2-CG2 4.13Å; M251-I379 HydrophobicContact CB-CD1 4.17Å; M251-I379 HydrophobicContact CG-CD1 3.33Å; K375-I379 WeakPolarHBondContact O-CB 3.47Å; K375-I379 WeakPolarHBondContact O-CD1 3.11Å; K375-I379 WeakPolarHBondContact O-CG1 3.32Å; K375-I379 PolarHBondContact O-N 2.99Å; F376-I379 PolarHBondContact O-N 3.12Å; I379-F382 PolarHBondContact O-N 2.82Å; I379-S383 WeakPolarHBondContact O-CB 3.11Å; I379-S383 PolarHBondContact O-N 3.3Å
380V83.2Confident79.6Confident19 Ų1953.9 Ų53.912%0.11526%0.258CS..Hα-helixtrans-65-41.4176.5170.20000111.4I247 F376 V378 F382 S383 H386 V390I247-V380 HydrophobicContact CD1-CG2 3.98Å; F376-V380 HydrophobicContact CD1-CG2 4.33Å; F376-V380 HydrophobicContact CD2-CG2 4.17Å; F376-V380 HydrophobicContact CE1-CG2 3.96Å; F376-V380 HydrophobicContact CE2-CG2 3.79Å; F376-V380 HydrophobicContact CG-CG2 4.44Å; F376-V380 HydrophobicContact CZ-CG2 3.68Å; F376-V380 WeakPolarHBondContact O-CB 3.32Å; F376-V380 VanDerWaalsContact O-CG2 3.29Å; F376-V380 WeakPolarHBondContact O-CG2 3.35Å; F376-V380 PolarHBondContact O-N 3.43Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.22Å; V380-F382 VanDerWaalsContact C-N 3.3Å; V380-F382 PolarHBondContact O-N 2.7Å; V380-S383 PolarHBondContact O-N 3.37Å; V380-H386 HydrophobicContact CG1-CB 4.44Å; V380-V390 HydrophobicContact CG1-CG2 3.8Å
381A76.9Confident78.9Confident26 Ų2652.9 Ų52.922%0.21525%0.253CS..Hα-helixtrans-64.2-33.7178.900000112.9F377 V378F377-A381 VanDerWaalsContact O-CB 3.3Å; F377-A381 WeakPolarHBondContact O-CB 3.48Å; F377-A381 PolarHBondContact O-N 3.05Å; V378-A381 PolarHBondContact O-N 3.04Å; V378-A381 VanDerWaalsContact O-N 3.17Å
382F75.2Confident78.2Confident43 Ų4356.7 Ų56.719%0.18927%0.274CS..Hα-helixtrans-95.7-3.4179.7-76.2-83.6000114.3A166 T169 L170 V378 I379 V380 L412A166-F382 HydrophobicContact CB-CD1 4.1Å; A166-F382 HydrophobicContact CB-CD2 3.68Å; A166-F382 HydrophobicContact CB-CE1 3.94Å; A166-F382 HydrophobicContact CB-CE2 3.53Å; A166-F382 HydrophobicContact CB-CG 3.98Å; A166-F382 HydrophobicContact CB-CZ 3.66Å; T169-F382 HydrophobicContact CG2-CB 3.85Å; L170-F382 HydrophobicContact CD1-CD1 3.97Å; L170-F382 HydrophobicContact CD1-CE1 4.4Å; L170-F382 HydrophobicContact CG-CD1 4.38Å; V378-F382 HydrophobicContact CG1-CD2 3.88Å; V378-F382 HydrophobicContact CG1-CE2 4.14Å; V378-F382 WeakPolarHBondContact O-CD2 3.35Å; V378-F382 PolarHBondContact O-N 3.42Å; I379-F382 PolarHBondContact O-N 2.82Å; V380-F382 VanDerWaalsContact C-N 3.3Å; V380-F382 PolarHBondContact O-N 2.7Å; F382-L412 HydrophobicContact CE1-CD2 4.46Å; F382-L412 HydrophobicContact CZ-CD2 4.26Å
383S74.9Confident77.5Confident0 Ų062.6 Ų62.60%029%0.294CS..  trans-89.3111176178.60000111.1F173 I379 V380 Q385 H386 F387F173-S383 VanDerWaalsContact CE2-CB 3.46Å; F173-S383 WeakPolarHBondContact CE2-OG 3.47Å; F173-S383 WeakPolarHBondContact CZ-OG 3.18Å; I379-S383 WeakPolarHBondContact O-CB 3.11Å; I379-S383 PolarHBondContact O-N 3.3Å; V380-S383 PolarHBondContact O-N 3.37Å; S383-Q385 VanDerWaalsContact C-N 3.32Å; S383-Q385 PolarHBondContact O-N 3.15Å; S383-H386 PolarHBondContact O-N 3.06Å; S383-H386 VanDerWaalsContact O-N 3.15Å; S383-H386 PolarHBondContact OG-CD2 3.44Å; S383-H386 VanDerWaalsContact OG-CD2 3.3Å; S383-F387 WeakPolarHBondContact O-CB 3.33Å; S383-F387 PolarHBondContact O-N 3.36Å
384E67.8Low76.6Confident114 Ų11460.4 Ų60.453%0.53328%0.283SS..Hα-helixtrans-54.8-44.1-176.6-61.3-170.3152.900113.4H386 F387 E388 K416E384-H386 VanDerWaalsContact C-N 3.31Å; E384-H386 PolarHBondContact O-N 3.19Å; E384-F387 PolarHBondContact O-N 3Å; E384-E388 WeakPolarHBondContact O-CG 3.42Å; E384-E388 PolarHBondContact O-N 2.82Å; E384-K416 IonicContact OE1-NZ 2.67Å; E384-K416 PolarHBondContact OE1-NZ 3.1Å
385Q67Low75.7Confident141 Ų14164.2 Ų64.266%0.65930%0.296SS*.Hα-helixtrans-69.7-28.4-176.5-64.5-176.8-10.400113.2S383S383-Q385 VanDerWaalsContact C-N 3.32Å; S383-Q385 PolarHBondContact O-N 3.15Å
386H68Low75.1Confident62 Ų6268 Ų6829%0.28732%0.323SS..Hα-helixtrans-92-32.6178.2-70.3-74.2000111.6V380 S383 E384 E388 K389 V390V380-H386 HydrophobicContact CG1-CB 4.44Å; S383-H386 PolarHBondContact O-N 3.06Å; S383-H386 VanDerWaalsContact O-N 3.15Å; S383-H386 PolarHBondContact OG-CD2 3.44Å; S383-H386 VanDerWaalsContact OG-CD2 3.3Å; E384-H386 VanDerWaalsContact C-N 3.31Å; E384-H386 PolarHBondContact O-N 3.19Å; H386-E388 PolarHBondContact O-N 3.15Å; H386-K389 WeakPolarHBondContact O-CB 3.5Å; H386-K389 PolarHBondContact O-N 3.28Å; H386-K389 VanDerWaalsContact O-N 3.15Å; H386-V390 WeakPolarHBondContact O-CG2 3.3Å; H386-V390 PolarHBondContact O-N 3.3Å
387F69.2Low74.4Confident14 Ų1466 Ų666%0.06132%0.318CS..Hα-helixtrans-58.6-46.8175.4179.8-110.7000111.6S383 E384 K389 V390 L391 F408 R409 L412S383-F387 WeakPolarHBondContact O-CB 3.33Å; S383-F387 PolarHBondContact O-N 3.36Å; E384-F387 PolarHBondContact O-N 3Å; F387-K389 VanDerWaalsContact C-N 3.28Å; F387-K389 PolarHBondContact O-N 2.91Å; F387-V390 CarbonylContact O-C 3.58Å; F387-V390 PolarHBondContact O-N 2.94Å; F387-V390 VanDerWaalsContact O-N 3.16Å; F387-L391 HydrophobicContact CD1-CD1 3.82Å; F387-L391 HydrophobicContact CD1-CG 4.18Å; F387-L391 HydrophobicContact CD2-CG 4.34Å; F387-L391 HydrophobicContact CE1-CD1 3.19Å; F387-L391 HydrophobicContact CE1-CD2 4.4Å; F387-L391 HydrophobicContact CE1-CG 3.78Å; F387-L391 HydrophobicContact CE2-CD1 4.2Å; F387-L391 HydrophobicContact CE2-CD2 3.95Å; F387-L391 HydrophobicContact CE2-CG 3.89Å; F387-L391 HydrophobicContact CG-CG 4.46Å; F387-L391 HydrophobicContact CZ-CD1 3.41Å; F387-L391 VanDerWaalsContact CZ-CD1 3.41Å; F387-L391 HydrophobicContact CZ-CD2 3.76Å; F387-L391 HydrophobicContact CZ-CG 3.62Å; F387-L391 WeakPolarHBondContact O-CB 3.42Å; F387-L391 WeakPolarHBondContact O-CG 3.22Å; F387-L391 PolarHBondContact O-N 3.46Å; F387-F408 HydrophobicContact CD2-CE1 4.37Å; F387-F408 AromaticContact CE2-CD1 3.57Å; F387-F408 HydrophobicContact CE2-CD1 3.57Å; F387-F408 AromaticContact CE2-CE1 3.55Å; F387-F408 HydrophobicContact CE2-CE1 3.55Å; F387-F408 HydrophobicContact CZ-CD1 4.05Å; F387-F408 HydrophobicContact CZ-CE1 4.45Å; F387-R409 HydrophobicContact CE1-CB 4.4Å; F387-R409 HydrophobicContact CE1-CG 4.45Å; F387-R409 HydrophobicContact CZ-CB 4.31Å; F387-L412 HydrophobicContact CD2-CD1 3.79Å; F387-L412 HydrophobicContact CE2-CD1 3.18Å; F387-L412 HydrophobicContact CZ-CD1 3.67Å
388E70.2Confident73Confident69 Ų6964.6 Ų64.632%0.32232%0.322SS..Hα-helixtrans-61.6-36.6176.1-66.2-60.1157.400112.5E384 H386 L391 N392 R409E384-E388 WeakPolarHBondContact O-CG 3.42Å; E384-E388 PolarHBondContact O-N 2.82Å; H386-E388 PolarHBondContact O-N 3.15Å; E388-L391 PolarHBondContact O-N 2.91Å; E388-N392 VanDerWaalsContact O-CB 3.31Å; E388-N392 WeakPolarHBondContact O-CB 3.3Å; E388-N392 PolarHBondContact O-N 2.93Å; E388-N392 PolarHBondContact O-ND2 2.86Å; E388-N392 VanDerWaalsContact O-ND2 3.12Å; E388-R409 IonicContact OE1-CZ 2.79Å; E388-R409 IonicContact OE1-NH1 3.06Å; E388-R409 PolarHBondContact OE1-NH1 2.9Å; E388-R409 IonicContact OE1-NH2 2.73Å; E388-R409 PolarHBondContact OE1-NH2 3.45Å; E388-R409 IonicContact OE2-CZ 3.27Å; E388-R409 IonicContact OE2-NH2 2.7Å; E388-R409 PolarHBondContact OE2-NH2 2.89Å
389K69.6Low72.1Confident141 Ų14173 Ų7361%0.61336%0.357SS*.Hα-helixtrans-67.8-42174.8-70.4178.1-176.5173.10111.5H386 F387 N392 W393H386-K389 WeakPolarHBondContact O-CB 3.5Å; H386-K389 PolarHBondContact O-N 3.28Å; H386-K389 VanDerWaalsContact O-N 3.15Å; F387-K389 VanDerWaalsContact C-N 3.28Å; F387-K389 PolarHBondContact O-N 2.91Å; K389-N392 PolarHBondContact O-N 3.35Å; K389-W393 WeakPolarHBondContact O-CB 3.47Å; K389-W393 PolarHBondContact O-N 2.95Å
390V69.2Low71.5Confident57 Ų5777.4 Ų77.435%0.34538%0.38SS..Hα-helixtrans-65-41.8175.51720000110.6V380 H386 F387 W393 L394V380-V390 HydrophobicContact CG1-CG2 3.8Å; H386-V390 WeakPolarHBondContact O-CG2 3.3Å; H386-V390 PolarHBondContact O-N 3.3Å; F387-V390 CarbonylContact O-C 3.58Å; F387-V390 PolarHBondContact O-N 2.94Å; F387-V390 VanDerWaalsContact O-N 3.16Å; V390-W393 CarbonylContact O-C 3.55Å; V390-W393 PolarHBondContact O-N 2.96Å; V390-L394 VanDerWaalsContact O-CB 3.3Å; V390-L394 WeakPolarHBondContact O-CB 3.41Å; V390-L394 PolarHBondContact O-N 3.31Å
391L71.9Confident70.7Confident1 Ų176.5 Ų76.51%0.00537%0.374CS..Hα-helixtrans-64.5-40.7174.5-75-171.7000111.8F387 E388 W393 L394 R395 E405 F408F387-L391 HydrophobicContact CD1-CD1 3.82Å; F387-L391 HydrophobicContact CD1-CG 4.18Å; F387-L391 HydrophobicContact CD2-CG 4.34Å; F387-L391 HydrophobicContact CE1-CD1 3.19Å; F387-L391 HydrophobicContact CE1-CD2 4.4Å; F387-L391 HydrophobicContact CE1-CG 3.78Å; F387-L391 HydrophobicContact CE2-CD1 4.2Å; F387-L391 HydrophobicContact CE2-CD2 3.95Å; F387-L391 HydrophobicContact CE2-CG 3.89Å; F387-L391 HydrophobicContact CG-CG 4.46Å; F387-L391 HydrophobicContact CZ-CD1 3.41Å; F387-L391 VanDerWaalsContact CZ-CD1 3.41Å; F387-L391 HydrophobicContact CZ-CD2 3.76Å; F387-L391 HydrophobicContact CZ-CG 3.62Å; F387-L391 WeakPolarHBondContact O-CB 3.42Å; F387-L391 WeakPolarHBondContact O-CG 3.22Å; F387-L391 PolarHBondContact O-N 3.46Å; E388-L391 PolarHBondContact O-N 2.91Å; L391-W393 VanDerWaalsContact C-N 3.33Å; L391-W393 PolarHBondContact O-N 2.95Å; L391-L394 HydrophobicContact CD2-CD2 4.46Å; L391-L394 CarbonylContact O-C 3.59Å; L391-L394 PolarHBondContact O-N 3.32Å; L391-R395 WeakPolarHBondContact O-CB 3.48Å; L391-R395 VanDerWaalsContact O-CG 3.27Å; L391-R395 WeakPolarHBondContact O-CG 3.47Å; L391-R395 PolarHBondContact O-N 2.62Å; L391-E405 HydrophobicContact CB-CG 4.5Å; L391-E405 HydrophobicContact CD1-CG 4.06Å; L391-E405 HydrophobicContact CD2-CG 3.96Å; L391-E405 HydrophobicContact CG-CG 4.41Å; L391-F408 HydrophobicContact CD2-CD1 4.2Å
392N73.5Confident70.2Confident83 Ų8379.3 Ų79.344%0.44439%0.39SS..Hα-helixtrans-64.8-37.9174.6-73.8-29000112.1E388 K389 R395 S396E388-N392 VanDerWaalsContact O-CB 3.31Å; E388-N392 WeakPolarHBondContact O-CB 3.3Å; E388-N392 PolarHBondContact O-N 2.93Å; E388-N392 PolarHBondContact O-ND2 2.86Å; E388-N392 VanDerWaalsContact O-ND2 3.12Å; K389-N392 PolarHBondContact O-N 3.35Å; N392-R395 WeakPolarHBondContact O-CB 3.47Å; N392-R395 PolarHBondContact O-N 3Å; N392-R395 PolarHBondContact OD1-NH1 3.3Å; N392-S396 PolarHBondContact O-N 3.48Å
393W77.1Confident69.9Low179 Ų17987.1 Ų87.168%0.67842%0.419SS*.Hα-helixtrans-66.9-39.6171.3-176.176.8000111.9K389 V390 L391 S396K389-W393 WeakPolarHBondContact O-CB 3.47Å; K389-W393 PolarHBondContact O-N 2.95Å; V390-W393 CarbonylContact O-C 3.55Å; V390-W393 PolarHBondContact O-N 2.96Å; L391-W393 VanDerWaalsContact C-N 3.33Å; L391-W393 PolarHBondContact O-N 2.95Å; W393-S396 WeakPolarHBondContact O-CB 3.47Å; W393-S396 PolarHBondContact O-N 3.47Å; W393-S396 VanDerWaalsContact O-N 3.08Å; W393-S396 PolarHBondContact O-OG 3.41Å
394L70Confident69.6Low39 Ų3991.1 Ų91.120%0.20444%0.44CS..Hα-helixtrans-66.7-38.5176.5-168.165.7000111.3V390 L391 S396 V397 G401 L404V390-L394 VanDerWaalsContact O-CB 3.3Å; V390-L394 WeakPolarHBondContact O-CB 3.41Å; V390-L394 PolarHBondContact O-N 3.31Å; L391-L394 HydrophobicContact CD2-CD2 4.46Å; L391-L394 CarbonylContact O-C 3.59Å; L391-L394 PolarHBondContact O-N 3.32Å; L394-S396 PolarHBondContact O-N 2.77Å; L394-V397 WeakPolarHBondContact O-CB 3.19Å; L394-V397 PolarHBondContact O-N 2.91Å; L394-G401 WeakPolarHBondContact O-CA 3.42Å; L394-L404 HydrophobicContact CD2-CB 4.04Å
395R68.4Low69.8Low113 Ų11387.1 Ų87.143%0.42642%0.421SS..Hα-helixtrans-58.2-31.6170.5-76.9173.2178.7168.8-4.6112.2L391 N392 V397 E405L391-R395 WeakPolarHBondContact O-CB 3.48Å; L391-R395 VanDerWaalsContact O-CG 3.27Å; L391-R395 WeakPolarHBondContact O-CG 3.47Å; L391-R395 PolarHBondContact O-N 2.62Å; N392-R395 WeakPolarHBondContact O-CB 3.47Å; N392-R395 PolarHBondContact O-N 3Å; N392-R395 PolarHBondContact OD1-NH1 3.3Å; R395-V397 PolarHBondContact O-N 3.28Å; R395-E405 WeakPolarHBondContact CG-OE2 3.47Å; R395-E405 IonicContact CZ-OE1 3.28Å; R395-E405 VanDerWaalsContact CZ-OE1 3.32Å; R395-E405 IonicContact CZ-OE2 2.72Å; R395-E405 IonicContact NE-OE1 2.67Å; R395-E405 PolarHBondContact NE-OE1 2.81Å; R395-E405 IonicContact NE-OE2 2.63Å; R395-E405 PolarHBondContact NE-OE2 3.37Å; R395-E405 IonicContact NH2-OE1 2.73Å; R395-E405 PolarHBondContact NH2-OE1 2.03Å; R395-E405 IonicContact NH2-OE2 3.32Å
396S76.5Confident69.9Low81 Ų8187.5 Ų87.557%0.56642%0.421SS*.THydrogen-bonded Turntrans-71.2-12176.483.30000113.7N392 W393 L394 P398N392-S396 PolarHBondContact O-N 3.48Å; W393-S396 WeakPolarHBondContact O-CB 3.47Å; W393-S396 PolarHBondContact O-N 3.47Å; W393-S396 VanDerWaalsContact O-N 3.08Å; W393-S396 PolarHBondContact O-OG 3.41Å; L394-S396 PolarHBondContact O-N 2.77Å; S396-P398 WeakPolarHBondContact O-CD 3.22Å
397V75.4Confident70.1Confident48 Ų4888 Ų8829%0.29143%0.429SS..SBendtrans-80.5107174.9-175.60000109.5L394 R395 K399 I400 G401L394-V397 WeakPolarHBondContact O-CB 3.19Å; L394-V397 PolarHBondContact O-N 2.91Å; R395-V397 PolarHBondContact O-N 3.28Å; V397-K399 PolarHBondContact O-N 3.37Å; V397-I400 HydrophobicContact CG1-CB 4.49Å; V397-G401 PolarHBondContact O-N 2.92Å
398P57.2Low70.1Confident109 Ų10991.4 Ų91.471%0.70844%0.444SS*.THydrogen-bonded Turntrans-63.7135-177.425.4-31.2000110.5S396 I400S396-P398 WeakPolarHBondContact O-CD 3.22Å; P398-I400 PolarHBondContact O-N 3.27Å
399K67.7Low70.1Confident193 Ų19390.8 Ų90.884%0.83944%0.439SS*.THydrogen-bonded Turntrans85-36.4-178.3-55.8176.1177.3175.90117.7V397V397-K399 PolarHBondContact O-N 3.37Å
400I71.6Confident70.2Confident93 Ų9388.7 Ų88.748%0.47743%0.434SS..THydrogen-bonded Turntrans-103-34.6-172.5-61.2170.3000111.8V397 P398 R403 L404V397-I400 HydrophobicContact CG1-CB 4.49Å; P398-I400 PolarHBondContact O-N 3.27Å; I400-R403 PolarHBondContact O-N 2.84Å; I400-R403 VanDerWaalsContact O-N 3.14Å; I400-L404 HydrophobicContact CG2-CD1 3.26Å; I400-L404 HydrophobicContact CG2-CG 3.63Å; I400-L404 PolarHBondContact O-N 3Å; I400-L404 VanDerWaalsContact O-N 3.07Å
401G66.9Low70.2Confident0 Ų091.6 Ų91.60%044%0.442CS..Hα-helixtrans-51-59-172.700000115L394 V397 R403 L404 E405L394-G401 WeakPolarHBondContact O-CA 3.42Å; V397-G401 PolarHBondContact O-N 2.92Å; G401-R403 PolarHBondContact O-N 3.49Å; G401-L404 PolarHBondContact O-N 2.88Å; G401-E405 WeakPolarHBondContact O-CB 3.46Å; G401-E405 PolarHBondContact O-N 3.27Å
402P67.4Low69.9Low85 Ų8592.3 Ų92.355%0.55245%0.446SS*.Hα-helixtrans-65.7-22.2-177.1-21.132.1000114.1
403R68.8Low69.7Low208 Ų20891.6 Ų91.679%0.78544%0.442SS*.Hα-helixtrans-82.7-32.8178.3-83.7-173.4163.8146-3112.8I400 G401 P407I400-R403 PolarHBondContact O-N 2.84Å; I400-R403 VanDerWaalsContact O-N 3.14Å; G401-R403 PolarHBondContact O-N 3.49Å; R403-P407 WeakPolarHBondContact O-CD 3.22Å; R403-P407 WeakPolarHBondContact O-CG 3.49Å
404L68.6Low69.3Low84 Ų8487.8 Ų87.844%0.4443%0.432SS..Hα-helixtrans-86.2-27.6178.1-70.2-175.6000113L394 I400 G401 K406 P407 F408L394-L404 HydrophobicContact CD2-CB 4.04Å; I400-L404 HydrophobicContact CG2-CD1 3.26Å; I400-L404 HydrophobicContact CG2-CG 3.63Å; I400-L404 PolarHBondContact O-N 3Å; I400-L404 VanDerWaalsContact O-N 3.07Å; G401-L404 PolarHBondContact O-N 2.88Å; L404-K406 PolarHBondContact O-N 3.35Å; L404-P407 WeakPolarHBondContact O-CD 3.33Å; L404-P407 WeakPolarHBondContact O-CG 3.44Å; L404-F408 WeakPolarHBondContact O-CB 3.37Å; L404-F408 PolarHBondContact O-N 2.98Å
405E70.7Confident68.8Low29 Ų2988.9 Ų88.914%0.13644%0.436CS..Hα-helixtrans-57.7-51.6-176.3-171.3-157.8150.300113.2L391 R395 G401 F408 R409L391-E405 HydrophobicContact CB-CG 4.5Å; L391-E405 HydrophobicContact CD1-CG 4.06Å; L391-E405 HydrophobicContact CD2-CG 3.96Å; L391-E405 HydrophobicContact CG-CG 4.41Å; R395-E405 WeakPolarHBondContact CG-OE2 3.47Å; R395-E405 IonicContact CZ-OE1 3.28Å; R395-E405 VanDerWaalsContact CZ-OE1 3.32Å; R395-E405 IonicContact CZ-OE2 2.72Å; R395-E405 IonicContact NE-OE1 2.67Å; R395-E405 PolarHBondContact NE-OE1 2.81Å; R395-E405 IonicContact NE-OE2 2.63Å; R395-E405 PolarHBondContact NE-OE2 3.37Å; R395-E405 IonicContact NH2-OE1 2.73Å; R395-E405 PolarHBondContact NH2-OE1 2.03Å; R395-E405 IonicContact NH2-OE2 3.32Å; G401-E405 WeakPolarHBondContact O-CB 3.46Å; G401-E405 PolarHBondContact O-N 3.27Å; E405-F408 PolarHBondContact O-N 3.02Å; E405-R409 WeakPolarHBondContact O-CB 3.23Å; E405-R409 PolarHBondContact O-N 3.26Å
406K70.1Confident68.6Low150 Ų15086 Ų8665%0.65243%0.427SS*.Hα-helixtrans-61.6-57.2-178.7-67.7-174.9-180-178.60112.9L404 F408 R409 D410L404-K406 PolarHBondContact O-N 3.35Å; K406-F408 PolarHBondContact O-N 3.27Å; K406-R409 PolarHBondContact O-N 3.31Å; K406-D410 WeakPolarHBondContact O-CB 3.16Å; K406-D410 PolarHBondContact O-N 2.91Å
407P73.2Confident67.9Low71 Ų7187.4 Ų87.446%0.46143%0.427SS..Hα-helixtrans-62.8-33.4-179.525-34.4000112.2R403 L404 F411R403-P407 WeakPolarHBondContact O-CD 3.22Å; R403-P407 WeakPolarHBondContact O-CG 3.49Å; L404-P407 WeakPolarHBondContact O-CD 3.33Å; L404-P407 WeakPolarHBondContact O-CG 3.44Å; P407-F411 WeakPolarHBondContact O-CB 3.21Å; P407-F411 PolarHBondContact O-N 3Å
408F67.5Low67.1Low86 Ų8690.8 Ų90.838%0.37743%0.434SS..Hα-helixtrans-73.2-41.2179-164.9-119.3000112.4F387 L391 L404 E405 K406 L412F387-F408 HydrophobicContact CD2-CE1 4.37Å; F387-F408 AromaticContact CE2-CD1 3.57Å; F387-F408 HydrophobicContact CE2-CD1 3.57Å; F387-F408 AromaticContact CE2-CE1 3.55Å; F387-F408 HydrophobicContact CE2-CE1 3.55Å; F387-F408 HydrophobicContact CZ-CD1 4.05Å; F387-F408 HydrophobicContact CZ-CE1 4.45Å; L391-F408 HydrophobicContact CD2-CD1 4.2Å; L404-F408 WeakPolarHBondContact O-CB 3.37Å; L404-F408 PolarHBondContact O-N 2.98Å; E405-F408 PolarHBondContact O-N 3.02Å; K406-F408 PolarHBondContact O-N 3.27Å; F408-L412 HydrophobicContact CD1-CD1 3.96Å; F408-L412 HydrophobicContact CE1-CD1 3.63Å; F408-L412 HydrophobicContact CE2-CD1 4.31Å; F408-L412 HydrophobicContact CG-CD1 4.45Å; F408-L412 HydrophobicContact CZ-CD1 3.8Å; F408-L412 WeakPolarHBondContact O-CB 3.46Å; F408-L412 WeakPolarHBondContact O-CG 3.01Å; F408-L412 PolarHBondContact O-N 2.92Å
409R71.3Confident67Low57 Ų5788 Ų8822%0.21541%0.413CS..Hα-helixtrans-62.7-47.1172.4176.7178.4-70-87.27.9111.4F387 E388 E405 K406 L412 N413F387-R409 HydrophobicContact CE1-CB 4.4Å; F387-R409 HydrophobicContact CE1-CG 4.45Å; F387-R409 HydrophobicContact CZ-CB 4.31Å; E388-R409 IonicContact OE1-CZ 2.79Å; E388-R409 IonicContact OE1-NH1 3.06Å; E388-R409 PolarHBondContact OE1-NH1 2.9Å; E388-R409 IonicContact OE1-NH2 2.73Å; E388-R409 PolarHBondContact OE1-NH2 3.45Å; E388-R409 IonicContact OE2-CZ 3.27Å; E388-R409 IonicContact OE2-NH2 2.7Å; E388-R409 PolarHBondContact OE2-NH2 2.89Å; E405-R409 WeakPolarHBondContact O-CB 3.23Å; E405-R409 PolarHBondContact O-N 3.26Å; K406-R409 PolarHBondContact O-N 3.31Å; R409-L412 PolarHBondContact O-N 3.09Å; R409-N413 WeakPolarHBondContact CG-ND2 3.49Å; R409-N413 VanDerWaalsContact O-CB 3.27Å; R409-N413 WeakPolarHBondContact O-CB 3.08Å; R409-N413 VanDerWaalsContact O-CG 3.29Å; R409-N413 PolarHBondContact O-N 3.13Å; R409-N413 PolarHBondContact O-ND2 3.29Å
410D71.6Confident66.4Low97 Ų9781.8 Ų81.852%0.51939%0.387SS..Hα-helixtrans-64.6-43.9-178.9-66.3-21.1000110.6K406 L412 N413 E414K406-D410 WeakPolarHBondContact O-CB 3.16Å; K406-D410 PolarHBondContact O-N 2.91Å; D410-L412 PolarHBondContact O-N 2.69Å; D410-N413 PolarHBondContact O-N 2.88Å; D410-E414 VanDerWaalsContact O-CB 3.22Å; D410-E414 WeakPolarHBondContact O-CB 3.27Å; D410-E414 PolarHBondContact O-N 2.75Å
411F68.6Low65.1Low117 Ų11785.6 Ų85.651%0.51340%0.395SS..Hα-helixtrans-57.4-50.6174.2176.5-99.2000112P407 E414 Q415P407-F411 WeakPolarHBondContact O-CB 3.21Å; P407-F411 PolarHBondContact O-N 3Å; F411-E414 PolarHBondContact O-N 3.06Å; F411-Q415 HydrophobicContact CD1-CG 4.27Å; F411-Q415 HydrophobicContact CE1-CG 3.89Å; F411-Q415 HydrophobicContact CE2-CG 4.23Å; F411-Q415 HydrophobicContact CZ-CG 3.87Å; F411-Q415 VanDerWaalsContact O-CG 3.31Å; F411-Q415 WeakPolarHBondContact O-CG 3.21Å; F411-Q415 PolarHBondContact O-N 3.45Å
412L66Low64.1Low16 Ų1690.6 Ų90.68%0.08443%0.43CS..Hα-helixtrans-69.5-39.1-178.5-76.2170.8000112.8F382 F387 F408 R409 D410 E414 Q415 K416F382-L412 HydrophobicContact CE1-CD2 4.46Å; F382-L412 HydrophobicContact CZ-CD2 4.26Å; F387-L412 HydrophobicContact CD2-CD1 3.79Å; F387-L412 HydrophobicContact CE2-CD1 3.18Å; F387-L412 HydrophobicContact CZ-CD1 3.67Å; F408-L412 HydrophobicContact CD1-CD1 3.96Å; F408-L412 HydrophobicContact CE1-CD1 3.63Å; F408-L412 HydrophobicContact CE2-CD1 4.31Å; F408-L412 HydrophobicContact CG-CD1 4.45Å; F408-L412 HydrophobicContact CZ-CD1 3.8Å; F408-L412 WeakPolarHBondContact O-CB 3.46Å; F408-L412 WeakPolarHBondContact O-CG 3.01Å; F408-L412 PolarHBondContact O-N 2.92Å; R409-L412 PolarHBondContact O-N 3.09Å; D410-L412 PolarHBondContact O-N 2.69Å; L412-E414 VanDerWaalsContact C-N 3.27Å; L412-E414 PolarHBondContact O-N 3.06Å; L412-Q415 PolarHBondContact O-N 3.3Å; L412-K416 VanDerWaalsContact O-CB 3.25Å; L412-K416 WeakPolarHBondContact O-CB 3.35Å; L412-K416 PolarHBondContact O-N 2.89Å
413N70Confident63.1Low69 Ų6989.1 Ų89.137%0.36942%0.422SS..Hα-helixtrans-61-40.8173-79.8-19.8000110.9R409 D410 K416 I417R409-N413 WeakPolarHBondContact CG-ND2 3.49Å; R409-N413 VanDerWaalsContact O-CB 3.27Å; R409-N413 WeakPolarHBondContact O-CB 3.08Å; R409-N413 VanDerWaalsContact O-CG 3.29Å; R409-N413 PolarHBondContact O-N 3.13Å; R409-N413 PolarHBondContact O-ND2 3.29Å; D410-N413 PolarHBondContact O-N 2.88Å; N413-K416 PolarHBondContact O-N 3.35Å; N413-I417 WeakPolarHBondContact O-CB 3.42Å; N413-I417 VanDerWaalsContact O-CG1 3.23Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å; N413-I417 PolarHBondContact O-N 3.35Å
414E67Low61.7Low98 Ų9883.7 Ų83.746%0.45841%0.408SS..Hα-helixtrans-68.2-41.1176.6-173.5159.2-173.300112.1D410 F411 L412 K416 I417 R418D410-E414 VanDerWaalsContact O-CB 3.22Å; D410-E414 WeakPolarHBondContact O-CB 3.27Å; D410-E414 PolarHBondContact O-N 2.75Å; F411-E414 PolarHBondContact O-N 3.06Å; L412-E414 VanDerWaalsContact C-N 3.27Å; L412-E414 PolarHBondContact O-N 3.06Å; E414-K416 VanDerWaalsContact C-N 3.34Å; E414-I417 PolarHBondContact O-N 3.09Å; E414-R418 WeakPolarHBondContact O-CB 3.38Å; E414-R418 WeakPolarHBondContact O-CG 3.36Å; E414-R418 PolarHBondContact O-N 3.22Å; E414-R418 IonicContact OE1-CZ 3.36Å; E414-R418 IonicContact OE1-NE 3.93Å; E414-R418 IonicContact OE1-NH2 3.19Å; E414-R418 PolarHBondContact OE1-NH2 3.06Å
415Q61Low60.3Low63 Ų6384.2 Ų84.229%0.29442%0.415SS..Hα-helixtrans-62.5-41.1171.9-68.2-51-55.300111.7F411 L412 R418 L419F411-Q415 HydrophobicContact CD1-CG 4.27Å; F411-Q415 HydrophobicContact CE1-CG 3.89Å; F411-Q415 HydrophobicContact CE2-CG 4.23Å; F411-Q415 HydrophobicContact CZ-CG 3.87Å; F411-Q415 VanDerWaalsContact O-CG 3.31Å; F411-Q415 WeakPolarHBondContact O-CG 3.21Å; F411-Q415 PolarHBondContact O-N 3.45Å; L412-Q415 PolarHBondContact O-N 3.3Å; Q415-R418 PolarHBondContact O-N 2.83Å; Q415-L419 WeakPolarHBondContact O-CB 3.29Å; Q415-L419 PolarHBondContact O-N 3.33Å
416K63.1Low58.7Low52 Ų5289.1 Ų89.123%0.22645%0.447CS..Hα-helixtrans-62-49.7177.2-174.2-178.4-179-158.10110.8L170 E384 L412 N413 E414 R418 L419 H420L170-K416 HydrophobicContact CD1-CG 4.38Å; L170-K416 HydrophobicContact CD2-CD 4.09Å; L170-K416 HydrophobicContact CD2-CG 3.9Å; E384-K416 IonicContact OE1-NZ 2.67Å; E384-K416 PolarHBondContact OE1-NZ 3.1Å; L412-K416 VanDerWaalsContact O-CB 3.25Å; L412-K416 WeakPolarHBondContact O-CB 3.35Å; L412-K416 PolarHBondContact O-N 2.89Å; N413-K416 PolarHBondContact O-N 3.35Å; E414-K416 VanDerWaalsContact C-N 3.34Å; K416-R418 VanDerWaalsContact C-N 3.33Å; K416-R418 PolarHBondContact O-N 3.42Å; K416-L419 PolarHBondContact O-N 3.45Å; K416-H420 WeakPolarHBondContact CE-NE2 3.44Å; K416-H420 PolarHBondContact O-CD2 3.49Å; K416-H420 PolarHBondContact O-N 3.36Å
417I62.9Low56.9Low110 Ų11086.6 Ų86.656%0.56444%0.444SS*.Hα-helixtrans-60.7-42.9176.9-68.7164.7000110.7N413 E414 L419 H420 R421N413-I417 WeakPolarHBondContact O-CB 3.42Å; N413-I417 VanDerWaalsContact O-CG1 3.23Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å; N413-I417 PolarHBondContact O-N 3.35Å; E414-I417 PolarHBondContact O-N 3.09Å; I417-L419 VanDerWaalsContact C-N 3.32Å; I417-L419 PolarHBondContact O-N 3Å; I417-H420 PolarHBondContact O-N 3.27Å; I417-R421 VanDerWaalsContact O-CB 3.29Å; I417-R421 WeakPolarHBondContact O-CB 3.29Å; I417-R421 PolarHBondContact O-N 3.48Å
418R58.5Low55Low120 Ų12092.8 Ų92.845%0.45347%0.466SS..Hα-helixtrans-62.8-38.4176.2-74.3175.5-171.5-1716.8112E414 Q415 K416 R421 S422E414-R418 WeakPolarHBondContact O-CB 3.38Å; E414-R418 WeakPolarHBondContact O-CG 3.36Å; E414-R418 PolarHBondContact O-N 3.22Å; E414-R418 IonicContact OE1-CZ 3.36Å; E414-R418 IonicContact OE1-NE 3.93Å; E414-R418 IonicContact OE1-NH2 3.19Å; E414-R418 PolarHBondContact OE1-NH2 3.06Å; Q415-R418 PolarHBondContact O-N 2.83Å; K416-R418 VanDerWaalsContact C-N 3.33Å; K416-R418 PolarHBondContact O-N 3.42Å; R418-R421 PolarHBondContact O-N 3.15Å; R418-S422 PolarHBondContact O-N 2.82Å
419L54.2Low53.6Low50 Ų5093.6 Ų93.626%0.26248%0.478SS..Hα-helixtrans-70.7-39178.8-156.173.8000112.5A166 A167 L170 Q415 K416 I417 R421A166-L419 HydrophobicContact CB-CD2 4.31Å; A167-L419 HydrophobicContact CB-CD2 4.08Å; L170-L419 HydrophobicContact CD1-CB 4.31Å; L170-L419 HydrophobicContact CD1-CD2 3.32Å; L170-L419 HydrophobicContact CD1-CG 4.39Å; Q415-L419 WeakPolarHBondContact O-CB 3.29Å; Q415-L419 PolarHBondContact O-N 3.33Å; K416-L419 PolarHBondContact O-N 3.45Å; I417-L419 VanDerWaalsContact C-N 3.32Å; I417-L419 PolarHBondContact O-N 3Å; L419-R421 VanDerWaalsContact C-N 3.34Å
420H54.5Low52Low62 Ų6298.9 Ų98.929%0.28751%0.505SS..Hα-helixtrans-64.6-38.3171.2-73.1-78.8000111.9E174 K416 I417 S423 D424E174-H420 IonicContact OE1-CE1 3.49Å; E174-H420 PolarHBondContact OE1-CE1 3.18Å; E174-H420 IonicContact OE1-ND1 3.54Å; E174-H420 PolarHBondContact OE1-ND1 3.03Å; E174-H420 IonicContact OE1-NE2 3.53Å; E174-H420 IonicContact OE2-CE1 2.9Å; E174-H420 IonicContact OE2-ND1 3.85Å; K416-H420 WeakPolarHBondContact CE-NE2 3.44Å; K416-H420 PolarHBondContact O-CD2 3.49Å; K416-H420 PolarHBondContact O-N 3.36Å; I417-H420 PolarHBondContact O-N 3.27Å; H420-S423 WeakPolarHBondContact O-CB 3.16Å; H420-S423 PolarHBondContact O-N 2.82Å; H420-D424 PolarHBondContact O-N 3.25Å
421R44.7Very low51Low174 Ų17495.6 Ų95.666%0.65749%0.49SS*.Hα-helixtrans-77.6-26.2-178.1-166.2173.7-171.7151.43.2114.1I417 R418 L419 S423 D424I417-R421 VanDerWaalsContact O-CB 3.29Å; I417-R421 WeakPolarHBondContact O-CB 3.29Å; I417-R421 PolarHBondContact O-N 3.48Å; R418-R421 PolarHBondContact O-N 3.15Å; L419-R421 VanDerWaalsContact C-N 3.34Å; R421-S423 PolarHBondContact O-N 2.99Å; R421-D424 CarbonylContact O-C 3.58Å; R421-D424 PolarHBondContact O-N 3.47Å; R421-D424 VanDerWaalsContact O-O 3.08Å
422S47Very low50.8Low105 Ų10591.6 Ų91.673%0.73448%0.482SS*.THydrogen-bonded Turntrans-67.1-15.3169.3-83.60000112.9R418R418-S422 PolarHBondContact O-N 2.82Å
423S46.8Very low51.2Low53 Ų5397.8 Ų97.837%0.37151%0.513SS..THydrogen-bonded Turntrans-82.2-51.3168.5-600000109.3V190 H420 R421 V425V190-S423 WeakPolarHBondContact CB-O 3.31Å; V190-S423 WeakPolarHBondContact CG1-O 3.44Å; V190-S423 WeakPolarHBondContact CG2-O 3.48Å; H420-S423 WeakPolarHBondContact O-CB 3.16Å; H420-S423 PolarHBondContact O-N 2.82Å; R421-S423 PolarHBondContact O-N 2.99Å; S423-V425 PolarHBondContact O-N 2.95Å
424D39.2Very low51Low94 Ų9499.2 Ų99.250%0.50352%0.524SS..SBendtrans-69.795177.7-75.3-39.2000114.1V190 H420 R421V190-D424 HydrophobicContact CG1-CB 4.21Å; V190-D424 WeakPolarHBondContact CG1-OD1 3.48Å; H420-D424 PolarHBondContact O-N 3.25Å; R421-D424 CarbonylContact O-C 3.58Å; R421-D424 PolarHBondContact O-N 3.47Å; R421-D424 VanDerWaalsContact O-O 3.08Å
425V37.8Very low50.9Low96 Ų9699.6 Ų99.658%0.58253%0.526SS*.  trans88.4106.2163.6-167.80000115S423 V427S423-V425 PolarHBondContact O-N 2.95Å; V425-V427 HydrophobicContact CG1-CB 3.6Å; V425-V427 HydrophobicContact CG1-CG2 3.25Å; V425-V427 PolarHBondContact O-N 3.48Å
426V37Very low51.4Low132 Ų132103.7 Ų103.780%0.854%0.539SS*.  trans-66.269.7157.4-173.30000109.3
427V32.6Very low52.1Low97 Ų97105 Ų10559%0.58855%0.551SS**SBendtrans-121.3125.7163.7164.40000104.3V425 T429V425-V427 HydrophobicContact CG1-CB 3.6Å; V425-V427 HydrophobicContact CG1-CG2 3.25Å; V425-V427 PolarHBondContact O-N 3.48Å; V427-T429 PolarHBondContact O-N 3.38Å; V427-T429 PolarHBondContact O-OG1 2.74Å
428H34.5Very low52.5Low201 Ų201102 Ų10293%0.93154%0.536SS*.  trans-33.979.1174.5-87.8-53.3000113.3Q430H428-Q430 PolarHBondContact O-N 3.47Å
429T37.2Very low53.1Low103 Ų103101 Ų10163%0.63254%0.536SS*.  trans-89.3115.4174-61.10000103.8V427 S431V427-T429 PolarHBondContact O-N 3.38Å; V427-T429 PolarHBondContact O-OG1 2.74Å; T429-S431 PolarHBondContact O-N 3.24Å
430Q38.5Very low54.3Low168 Ų168102.2 Ų102.279%0.78555%0.546SS*.  trans-37.9107.5177.9-75.4179.6-23.600109.3H428 G432H428-Q430 PolarHBondContact O-N 3.47Å; Q430-G432 PolarHBondContact O-N 3.09Å
431S50.8Low55.4Low27 Ų27102 Ų10219%0.18955%0.549CS..  trans-41.9116.8165159.10000105.7T429 I433 Q435 R436 E439T429-S431 PolarHBondContact O-N 3.24Å; S431-I433 PolarHBondContact O-N 3.06Å; S431-Q435 WeakPolarHBondContact OG-CB 3.34Å; S431-Q435 WeakPolarHBondContact OG-CG 3.43Å; S431-R436 VanDerWaalsContact CB-CG 3.48Å; S431-R436 WeakPolarHBondContact OG-CG 3.44Å; S431-R436 PolarHBondContact OG-N 3.28Å; S431-E439 PolarHBondContact OG-OE2 3.09Å
432G63.6Low56.6Low34 Ų3494.6 Ų94.635%0.35152%0.523SS..  trans-51.9146.7-174.400000108.3Q430 V434 Q435 R436Q430-G432 PolarHBondContact O-N 3.09Å; G432-V434 CarbonylContact O-C 3.57Å; G432-V434 PolarHBondContact O-N 3.37Å; G432-Q435 WeakPolarHBondContact O-CA 3.22Å; G432-Q435 PolarHBondContact O-N 2.84Å; G432-R436 PolarHBondContact O-N 2.7Å
433I74.7Confident58.2Low146 Ų14696.6 Ų96.675%0.74952%0.519SS*.Hα-helixtrans-46-39.9-175.1-60.9168000110.8S431 R436 V437S431-I433 PolarHBondContact O-N 3.06Å; I433-R436 PolarHBondContact O-N 3.36Å; I433-V437 HydrophobicContact CG2-CG2 4.3Å; I433-V437 WeakPolarHBondContact O-CB 3.36Å; I433-V437 WeakPolarHBondContact O-CG2 3.29Å; I433-V437 PolarHBondContact O-N 2.93Å
434V65Low59.9Low98 Ų9899.1 Ų99.159%0.59453%0.528SS*.Hα-helixtrans-60.8-49.5174.9-178.40000113.2G432 V437 I438G432-V434 CarbonylContact O-C 3.57Å; G432-V434 PolarHBondContact O-N 3.37Å; V434-V437 PolarHBondContact O-N 3.43Å; V434-I438 HydrophobicContact CG1-CD1 3.83Å; V434-I438 VanDerWaalsContact O-CG1 3.27Å; V434-I438 WeakPolarHBondContact O-CG1 3.48Å; V434-I438 PolarHBondContact O-N 2.87Å
435Q66Low61.4Low106 Ų10697.4 Ų97.450%0.49552%0.517SS..Hα-helixtrans-65.4-41.5179-178.9172.4-11.900111.1S431 G432 V437 I438 E439S431-Q435 WeakPolarHBondContact OG-CB 3.34Å; S431-Q435 WeakPolarHBondContact OG-CG 3.43Å; G432-Q435 WeakPolarHBondContact O-CA 3.22Å; G432-Q435 PolarHBondContact O-N 2.84Å; Q435-V437 VanDerWaalsContact C-N 3.34Å; Q435-V437 PolarHBondContact O-N 2.98Å; Q435-I438 PolarHBondContact O-N 3.37Å; Q435-E439 HydrophobicContact CG-CG 4.21Å; Q435-E439 VanDerWaalsContact CG-OE1 3.3Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.42Å; Q435-E439 PolarHBondContact NE2-OE1 3Å; Q435-E439 WeakPolarHBondContact O-CB 3.25Å; Q435-E439 VanDerWaalsContact O-CG 3.27Å; Q435-E439 WeakPolarHBondContact O-CG 3.19Å; Q435-E439 PolarHBondContact O-N 3.27Å
436R71.4Confident63.2Low149 Ų14996.5 Ų96.556%0.56251%0.508SS*.Hα-helixtrans-61.7-41.6172.9-79.4-153.1179.5165.41.1112.3S431 G432 I433 I438 T440S431-R436 VanDerWaalsContact CB-CG 3.48Å; S431-R436 WeakPolarHBondContact OG-CG 3.44Å; S431-R436 PolarHBondContact OG-N 3.28Å; G432-R436 PolarHBondContact O-N 2.7Å; I433-R436 PolarHBondContact O-N 3.36Å; R436-I438 VanDerWaalsContact C-N 3.34Å; R436-T440 WeakPolarHBondContact O-CB 3.23Å; R436-T440 PolarHBondContact O-N 3.44Å; R436-T440 PolarHBondContact O-OG1 3.35Å
437V77.8Confident65.3Low81 Ų8191.8 Ų91.849%0.49148%0.483SS..Hα-helixtrans-62-44.9176.8165.80000110I433 V434 Q435 T441I433-V437 HydrophobicContact CG2-CG2 4.3Å; I433-V437 WeakPolarHBondContact O-CB 3.36Å; I433-V437 WeakPolarHBondContact O-CG2 3.29Å; I433-V437 PolarHBondContact O-N 2.93Å; V434-V437 PolarHBondContact O-N 3.43Å; Q435-V437 VanDerWaalsContact C-N 3.34Å; Q435-V437 PolarHBondContact O-N 2.98Å; V437-T441 VanDerWaalsContact O-CB 3.27Å; V437-T441 WeakPolarHBondContact O-CB 3.21Å; V437-T441 PolarHBondContact O-N 3.47Å; V437-T441 PolarHBondContact O-OG1 3.18Å
438I70Confident67.5Low46 Ų4689.9 Ų89.924%0.23647%0.474CS..Hα-helixtrans-66.3-49.2178.3-65165000111L159 V434 Q435 R436 T440 T441 V442L159-I438 HydrophobicContact CD1-CG2 3.82Å; L159-I438 HydrophobicContact CD2-CG2 3.44Å; L159-I438 VanDerWaalsContact CD2-CG2 3.44Å; L159-I438 HydrophobicContact CG-CG2 4.16Å; V434-I438 HydrophobicContact CG1-CD1 3.83Å; V434-I438 VanDerWaalsContact O-CG1 3.27Å; V434-I438 WeakPolarHBondContact O-CG1 3.48Å; V434-I438 PolarHBondContact O-N 2.87Å; Q435-I438 PolarHBondContact O-N 3.37Å; R436-I438 VanDerWaalsContact C-N 3.34Å; I438-T440 VanDerWaalsContact C-N 3.32Å; I438-T440 PolarHBondContact O-N 2.91Å; I438-T441 PolarHBondContact O-N 2.78Å; I438-V442 HydrophobicContact CG2-CG2 4.22Å; I438-V442 WeakPolarHBondContact O-CB 3.1Å; I438-V442 VanDerWaalsContact O-CG2 3.27Å; I438-V442 WeakPolarHBondContact O-CG2 3.43Å; I438-V442 PolarHBondContact O-N 2.81Å
439E72.1Confident69.3Low98 Ų9882.5 Ų82.546%0.45845%0.445SS..Hα-helixtrans-57.6-44.3176.9-74.5168.7175.700111.4S431 Q435 V442 F443S431-E439 PolarHBondContact OG-OE2 3.09Å; Q435-E439 HydrophobicContact CG-CG 4.21Å; Q435-E439 VanDerWaalsContact CG-OE1 3.3Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.42Å; Q435-E439 PolarHBondContact NE2-OE1 3Å; Q435-E439 WeakPolarHBondContact O-CB 3.25Å; Q435-E439 VanDerWaalsContact O-CG 3.27Å; Q435-E439 WeakPolarHBondContact O-CG 3.19Å; Q435-E439 PolarHBondContact O-N 3.27Å; E439-V442 PolarHBondContact O-N 3.37Å; E439-F443 WeakPolarHBondContact O-CB 3.46Å; E439-F443 PolarHBondContact O-N 3.45Å
440T79.2Confident71.4Confident76 Ų7684.1 Ų84.147%0.46644%0.444SS..Hα-helixtrans-65.8-42176.9-56.50000111.2R436 I438 F443 L444R436-T440 WeakPolarHBondContact O-CB 3.23Å; R436-T440 PolarHBondContact O-N 3.44Å; R436-T440 PolarHBondContact O-OG1 3.35Å; I438-T440 VanDerWaalsContact C-N 3.32Å; I438-T440 PolarHBondContact O-N 2.91Å; T440-F443 PolarHBondContact O-N 3.36Å; T440-L444 HydrophobicContact CG2-CD1 4.21Å; T440-L444 HydrophobicContact CG2-CG 4.44Å; T440-L444 WeakPolarHBondContact O-CB 3.47Å; T440-L444 VanDerWaalsContact O-CG 3.3Å; T440-L444 WeakPolarHBondContact O-CG 3.22Å; T440-L444 PolarHBondContact O-N 3.06Å
441T76.6Confident73.6Confident59 Ų5979.3 Ų79.336%0.36242%0.423SS..Hα-helixtrans-62.9-45.8177.1-58.40000110.9V437 I438 F443 L444 M445V437-T441 VanDerWaalsContact O-CB 3.27Å; V437-T441 WeakPolarHBondContact O-CB 3.21Å; V437-T441 PolarHBondContact O-N 3.47Å; V437-T441 PolarHBondContact O-OG1 3.18Å; I438-T441 PolarHBondContact O-N 2.78Å; T441-F443 PolarHBondContact O-N 2.87Å; T441-L444 PolarHBondContact O-N 2.87Å; T441-M445 HydrophobicContact CG2-SD 4.11Å; T441-M445 WeakPolarHBondContact O-CB 3.3Å; T441-M445 VanDerWaalsContact O-CG 3.29Å; T441-M445 WeakPolarHBondContact O-CG 2.93Å; T441-M445 PolarHBondContact O-N 3.11Å
442V70.8Confident75Confident18 Ų1881.4 Ų81.411%0.10944%0.437CS..Hα-helixtrans-60.9-44.6175.4172.80000111.2F150 L159 I438 E439 M445 I446F150-V442 HydrophobicContact CE2-CG1 4.35Å; F150-V442 HydrophobicContact CE2-CG2 4.19Å; F150-V442 HydrophobicContact CZ-CB 4.31Å; F150-V442 HydrophobicContact CZ-CG2 3.78Å; L159-V442 HydrophobicContact CD1-CG2 3.76Å; I438-V442 HydrophobicContact CG2-CG2 4.22Å; I438-V442 WeakPolarHBondContact O-CB 3.1Å; I438-V442 VanDerWaalsContact O-CG2 3.27Å; I438-V442 WeakPolarHBondContact O-CG2 3.43Å; I438-V442 PolarHBondContact O-N 2.81Å; E439-V442 PolarHBondContact O-N 3.37Å; V442-M445 PolarHBondContact O-N 3.42Å; V442-I446 HydrophobicContact CG1-CD1 3.8Å; V442-I446 HydrophobicContact CG1-CG1 4.44Å; V442-I446 VanDerWaalsContact O-CG1 3.31Å; V442-I446 WeakPolarHBondContact O-CG1 3.25Å; V442-I446 PolarHBondContact O-N 3.36Å
443F80.8Confident75.9Confident146 Ų14684.2 Ų84.264%0.6444%0.444SS*.Hα-helixtrans-61.5-45.6176.3-179.4-95.5000112.4E439 T440 T441 M445 I446 A447E439-F443 WeakPolarHBondContact O-CB 3.46Å; E439-F443 PolarHBondContact O-N 3.45Å; T440-F443 PolarHBondContact O-N 3.36Å; T441-F443 PolarHBondContact O-N 2.87Å; F443-M445 VanDerWaalsContact C-N 3.31Å; F443-M445 PolarHBondContact O-N 3.43Å; F443-I446 PolarHBondContact O-N 2.87Å; F443-A447 VanDerWaalsContact O-CB 3.3Å; F443-A447 WeakPolarHBondContact O-CB 3.4Å; F443-A447 PolarHBondContact O-N 3.4Å
444L81.9Confident76.5Confident107 Ų10778.8 Ų78.856%0.5642%0.417SS*.Hα-helixtrans-61.7-38.7176.3-74174.6000112.1T440 T441 A447 S448T440-L444 HydrophobicContact CG2-CD1 4.21Å; T440-L444 HydrophobicContact CG2-CG 4.44Å; T440-L444 WeakPolarHBondContact O-CB 3.47Å; T440-L444 VanDerWaalsContact O-CG 3.3Å; T440-L444 WeakPolarHBondContact O-CG 3.22Å; T440-L444 PolarHBondContact O-N 3.06Å; T441-L444 PolarHBondContact O-N 2.87Å; L444-A447 PolarHBondContact O-N 2.93Å; L444-S448 WeakPolarHBondContact O-CB 3.45Å; L444-S448 PolarHBondContact O-N 3.04Å; L444-S448 PolarHBondContact O-OG 3.14Å
445M71.7Confident77.5Confident58 Ų5874.9 Ų74.929%0.28639%0.393SS..Hα-helixtrans-69.6-42.2177.1-72.8-175.757.400112.3G149 F150 T441 V442 F443 A447 S448 S449G149-M445 WeakPolarHBondContact O-CE 3.49Å; F150-M445 HydrophobicContact CD1-CE 3.22Å; F150-M445 HydrophobicContact CD1-SD 3.8Å; F150-M445 HydrophobicContact CD2-CE 3.96Å; F150-M445 HydrophobicContact CE1-CE 3.13Å; F150-M445 HydrophobicContact CE1-CG 4.39Å; F150-M445 HydrophobicContact CE1-SD 3.03Å; F150-M445 WeakPolarHBondContact CE1-SD 3.27Å; F150-M445 HydrophobicContact CE2-CB 3.97Å; F150-M445 HydrophobicContact CE2-CE 3.83Å; F150-M445 HydrophobicContact CE2-SD 4.1Å; F150-M445 HydrophobicContact CG-CE 3.65Å; F150-M445 HydrophobicContact CZ-CB 3.81Å; F150-M445 HydrophobicContact CZ-CE 3.42Å; F150-M445 VanDerWaalsContact CZ-CE 3.42Å; F150-M445 HydrophobicContact CZ-CG 4.01Å; F150-M445 HydrophobicContact CZ-SD 3.18Å; F150-M445 WeakPolarHBondContact CZ-SD 3.37Å; T441-M445 HydrophobicContact CG2-SD 4.11Å; T441-M445 WeakPolarHBondContact O-CB 3.3Å; T441-M445 VanDerWaalsContact O-CG 3.29Å; T441-M445 WeakPolarHBondContact O-CG 2.93Å; T441-M445 PolarHBondContact O-N 3.11Å; V442-M445 PolarHBondContact O-N 3.42Å; F443-M445 VanDerWaalsContact C-N 3.31Å; F443-M445 PolarHBondContact O-N 3.43Å; M445-A447 VanDerWaalsContact C-N 3.35Å; M445-A447 PolarHBondContact O-N 3.32Å; M445-S448 PolarHBondContact O-N 3.23Å; M445-S448 PolarHBondContact O-OG 3.43Å; M445-S449 PolarHBondContact O-N 3.06Å; M445-S449 PolarHBondContact O-OG 3.17Å; M445-S449 VanDerWaalsContact O-OG 3.07Å
446I75Confident78.3Confident77 Ų7771.2 Ų71.240%0.39538%0.379SS..Hα-helixtrans-61.5-46.4172.7-68.6168.1000109.9V442 F443 S448 S449 F450V442-I446 HydrophobicContact CG1-CD1 3.8Å; V442-I446 HydrophobicContact CG1-CG1 4.44Å; V442-I446 VanDerWaalsContact O-CG1 3.31Å; V442-I446 WeakPolarHBondContact O-CG1 3.25Å; V442-I446 PolarHBondContact O-N 3.36Å; F443-I446 PolarHBondContact O-N 2.87Å; I446-S448 PolarHBondContact O-N 3.01Å; I446-S449 WeakPolarHBondContact O-CB 3.21Å; I446-S449 PolarHBondContact O-N 3.24Å; I446-F450 HydrophobicContact CG2-CD2 3.65Å; I446-F450 HydrophobicContact CG2-CE2 3.57Å; I446-F450 VanDerWaalsContact O-CD2 3.26Å; I446-F450 WeakPolarHBondContact O-CD2 3.21Å; I446-F450 PolarHBondContact O-N 2.77Å
447A81.2Confident79.1Confident32 Ų3265.7 Ų65.726%0.26436%0.361SS..Hα-helixtrans-61-42178.400000112.2F443 L444 M445 F450 I451F443-A447 VanDerWaalsContact O-CB 3.3Å; F443-A447 WeakPolarHBondContact O-CB 3.4Å; F443-A447 PolarHBondContact O-N 3.4Å; L444-A447 PolarHBondContact O-N 2.93Å; M445-A447 VanDerWaalsContact C-N 3.35Å; M445-A447 PolarHBondContact O-N 3.32Å; A447-F450 PolarHBondContact O-N 3.17Å; A447-I451 VanDerWaalsContact O-CG1 3.24Å; A447-I451 WeakPolarHBondContact O-CG1 3.08Å; A447-I451 PolarHBondContact O-N 3.41Å
448S78.2Confident79.6Confident58 Ų5861.8 Ų61.841%0.40634%0.337SS..Hα-helixtrans-66.1-39.7175.971.60000111.9L444 M445 I446 F450 I451 S452L444-S448 WeakPolarHBondContact O-CB 3.45Å; L444-S448 PolarHBondContact O-N 3.04Å; L444-S448 PolarHBondContact O-OG 3.14Å; M445-S448 PolarHBondContact O-N 3.23Å; M445-S448 PolarHBondContact O-OG 3.43Å; I446-S448 PolarHBondContact O-N 3.01Å; S448-F450 PolarHBondContact O-N 2.74Å; S448-I451 PolarHBondContact O-N 2.96Å; S448-S452 WeakPolarHBondContact O-CB 3.17Å; S448-S452 PolarHBondContact O-N 2.99Å; S448-S452 PolarHBondContact O-OG 2.97Å; S448-S452 VanDerWaalsContact O-OG 3.11Å
449S73.8Confident80.3Confident46 Ų4660.9 Ų60.932%0.32233%0.332SS..Hα-helixtrans-60.5-42.7172.4-61.80000112.3M445 I446 S452 L453M445-S449 PolarHBondContact O-N 3.06Å; M445-S449 PolarHBondContact O-OG 3.17Å; M445-S449 VanDerWaalsContact O-OG 3.07Å; I446-S449 WeakPolarHBondContact O-CB 3.21Å; I446-S449 PolarHBondContact O-N 3.24Å; S449-S452 PolarHBondContact O-N 3.23Å; S449-L453 WeakPolarHBondContact O-CB 3.49Å; S449-L453 PolarHBondContact O-N 2.88Å
450F80.9Confident80.9Confident136 Ų13661.8 Ų61.860%0.59633%0.331SS*.Hα-helixtrans-62.8-42174.4-88.6-75.8000112I446 A447 S448 L453 V454I446-F450 HydrophobicContact CG2-CD2 3.65Å; I446-F450 HydrophobicContact CG2-CE2 3.57Å; I446-F450 VanDerWaalsContact O-CD2 3.26Å; I446-F450 WeakPolarHBondContact O-CD2 3.21Å; I446-F450 PolarHBondContact O-N 2.77Å; A447-F450 PolarHBondContact O-N 3.17Å; S448-F450 PolarHBondContact O-N 2.74Å; F450-L453 PolarHBondContact O-N 3.31Å; F450-V454 WeakPolarHBondContact O-CG2 3.36Å; F450-V454 PolarHBondContact O-N 3.31Å
451I84.1Confident81.2Confident67 Ų6759 Ų5934%0.34431%0.312SS..Hα-helixtrans-62.4-44.8175.4-67.8163.4000110.5M69 A447 S448 L453 V454 N455M69-I451 HydrophobicContact CB-CG2 4.11Å; M69-I451 HydrophobicContact CE-CB 4.14Å; M69-I451 HydrophobicContact CE-CG1 3.67Å; M69-I451 HydrophobicContact CE-CG2 4.08Å; M69-I451 HydrophobicContact SD-CG1 4.04Å; M69-I451 HydrophobicContact SD-CG2 4.35Å; A447-I451 VanDerWaalsContact O-CG1 3.24Å; A447-I451 WeakPolarHBondContact O-CG1 3.08Å; A447-I451 PolarHBondContact O-N 3.41Å; S448-I451 PolarHBondContact O-N 2.96Å; I451-L453 VanDerWaalsContact C-N 3.34Å; I451-L453 PolarHBondContact O-N 2.85Å; I451-V454 PolarHBondContact O-N 2.87Å; I451-N455 PolarHBondContact O-N 3.46Å; I451-N455 PolarHBondContact O-ND2 2.99Å
452S79.8Confident81.7Confident71 Ų7156.7 Ų56.750%0.49730%0.297SS..Hα-helixtrans-61.3-40.7176.5-660000112.1S448 S449 N455 S456S448-S452 WeakPolarHBondContact O-CB 3.17Å; S448-S452 PolarHBondContact O-N 2.99Å; S448-S452 PolarHBondContact O-OG 2.97Å; S448-S452 VanDerWaalsContact O-OG 3.11Å; S449-S452 PolarHBondContact O-N 3.23Å; S452-N455 PolarHBondContact O-N 2.55Å; S452-S456 PolarHBondContact O-N 3.38Å; S452-S456 PolarHBondContact O-OG 3.47Å
453L83.6Confident82.2Confident93 Ų9357.8 Ų57.849%0.48730%0.299SS..Hα-helixtrans-62.6-42.5174.2-179.965.2000112.2S449 F450 I451 N455 S456 L457S449-L453 WeakPolarHBondContact O-CB 3.49Å; S449-L453 PolarHBondContact O-N 2.88Å; F450-L453 PolarHBondContact O-N 3.31Å; I451-L453 VanDerWaalsContact C-N 3.34Å; I451-L453 PolarHBondContact O-N 2.85Å; L453-N455 VanDerWaalsContact C-N 3.33Å; L453-S456 PolarHBondContact O-N 3.38Å; L453-S456 PolarHBondContact O-OG 3.45Å; L453-L457 HydrophobicContact CG-CD1 4.27Å; L453-L457 WeakPolarHBondContact O-CB 3.08Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.38Å; L453-L457 PolarHBondContact O-N 2.97Å
454V87.3Confident82.4Confident32 Ų3253 Ų5319%0.19428%0.277CS..Hα-helixtrans-64.3-41.2175.9170.60000110.8M69 T76 F450 I451 A458M69-V454 HydrophobicContact CE-CB 4.31Å; M69-V454 HydrophobicContact CE-CG1 4.23Å; T76-V454 HydrophobicContact CG2-CG1 4.28Å; F450-V454 WeakPolarHBondContact O-CG2 3.36Å; F450-V454 PolarHBondContact O-N 3.31Å; I451-V454 PolarHBondContact O-N 2.87Å; V454-A458 WeakPolarHBondContact O-CB 3.42Å; V454-A458 PolarHBondContact O-N 3.49Å
455N85Confident82.6Confident17 Ų1749.5 Ų49.59%0.09126%0.259CS..Hα-helixtrans-63.3-47.1176.3-63.7-29.6000111.1M69 I451 S452 L453 L457 A458 Q459M69-N455 PolarHBondContact N-OD1 3.01Å; I451-N455 PolarHBondContact O-N 3.46Å; I451-N455 PolarHBondContact O-ND2 2.99Å; S452-N455 PolarHBondContact O-N 2.55Å; L453-N455 VanDerWaalsContact C-N 3.33Å; N455-L457 PolarHBondContact O-N 2.85Å; N455-A458 PolarHBondContact O-N 2.78Å; N455-Q459 VanDerWaalsContact O-CB 3.3Å; N455-Q459 WeakPolarHBondContact O-CB 3.5Å; N455-Q459 WeakPolarHBondContact O-CG 3.46Å; N455-Q459 PolarHBondContact O-N 2.91Å
456S83.6Confident83.1Confident28 Ų2848.4 Ų48.420%0.19625%0.252CS..Hα-helixtrans-63-41.3-179.767.80000112S452 L453 Q459 R460S452-S456 PolarHBondContact O-N 3.38Å; S452-S456 PolarHBondContact O-OG 3.47Å; L453-S456 PolarHBondContact O-N 3.38Å; L453-S456 PolarHBondContact O-OG 3.45Å; S456-Q459 PolarHBondContact O-N 2.86Å; S456-R460 WeakPolarHBondContact O-CB 3.47Å; S456-R460 PolarHBondContact O-N 3.47Å
457L87.6Confident83.4Confident33 Ų3349.2 Ų49.217%0.17325%0.254CS..Hα-helixtrans-60.8-45.7173.1-72.8170.6000112.3E83 V84 M87 L453 N455 Q459 R460 Y461E83-L457 HydrophobicContact CB-CB 4.45Å; E83-L457 HydrophobicContact CB-CD2 4.49Å; E83-L457 WeakPolarHBondContact CB-O 3.36Å; E83-L457 HydrophobicContact CG-CD2 4.03Å; V84-L457 HydrophobicContact CG2-CD1 3.94Å; M87-L457 HydrophobicContact SD-CD2 4.3Å; L453-L457 HydrophobicContact CG-CD1 4.27Å; L453-L457 WeakPolarHBondContact O-CB 3.08Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.38Å; L453-L457 PolarHBondContact O-N 2.97Å; N455-L457 PolarHBondContact O-N 2.85Å; L457-Q459 PolarHBondContact O-N 3.28Å; L457-R460 PolarHBondContact O-N 2.98Å; L457-Y461 PolarHBondContact O-N 3.3Å; L457-Y461 VanDerWaalsContact O-N 3.07Å
458A88.3Confident83.5Confident0 Ų050.7 Ų50.70%026%0.255CS..Hα-helixtrans-63.6-42.8178.600000112.3T76 V454 N455 R460 Y461 H462T76-A458 HydrophobicContact CG2-CB 3.51Å; T76-A458 VanDerWaalsContact O-CB 3.3Å; T76-A458 WeakPolarHBondContact O-CB 3.38Å; V454-A458 WeakPolarHBondContact O-CB 3.42Å; V454-A458 PolarHBondContact O-N 3.49Å; N455-A458 PolarHBondContact O-N 2.78Å; A458-R460 VanDerWaalsContact C-N 3.3Å; A458-R460 PolarHBondContact O-N 3.15Å; A458-Y461 PolarHBondContact O-N 3.25Å; A458-H462 PolarHBondContact O-N 3.34Å
459Q84.2Confident83.8Confident26 Ų2653.5 Ų53.512%0.12126%0.26CS..Hα-helixtrans-64.2-34.9175.9-76.1179.28.300112.3R64 F67 N455 S456 L457 H462 R463R64-Q459 HydrophobicContact CG-CB 3.76Å; R64-Q459 HydrophobicContact CG-CG 3.75Å; R64-Q459 PolarHBondContact NE-O 3.26Å; F67-Q459 HydrophobicContact CB-CG 4.44Å; N455-Q459 VanDerWaalsContact O-CB 3.3Å; N455-Q459 WeakPolarHBondContact O-CB 3.5Å; N455-Q459 WeakPolarHBondContact O-CG 3.46Å; N455-Q459 PolarHBondContact O-N 2.91Å; S456-Q459 PolarHBondContact O-N 2.86Å; L457-Q459 PolarHBondContact O-N 3.28Å; Q459-H462 PolarHBondContact O-N 3.15Å; Q459-R463 PolarHBondContact O-N 3.47Å
460R84.7Confident84.2Confident118 Ų11855.1 Ų55.145%0.44526%0.261SS..Hα-helixtrans-67.2-42.9175.1-170.1177.9-177-177.43.9111.7E83 S456 L457 A458 H462 R463 R464E83-R460 HydrophobicContact CG-CB 4.23Å; E83-R460 HydrophobicContact CG-CG 4.34Å; E83-R460 WeakPolarHBondContact OE1-CD 3.34Å; E83-R460 WeakPolarHBondContact OE1-CG 3.33Å; E83-R460 IonicContact OE1-CZ 2.7Å; E83-R460 IonicContact OE1-NE 3.55Å; E83-R460 PolarHBondContact OE1-NE 3.41Å; S456-R460 WeakPolarHBondContact O-CB 3.47Å; S456-R460 PolarHBondContact O-N 3.47Å; L457-R460 PolarHBondContact O-N 2.98Å; A458-R460 VanDerWaalsContact C-N 3.3Å; A458-R460 PolarHBondContact O-N 3.15Å; R460-H462 VanDerWaalsContact C-N 3.33Å; R460-H462 PolarHBondContact O-N 3.23Å; R460-R463 WeakPolarHBondContact O-CB 3.42Å; R460-R463 PolarHBondContact O-N 3.39Å; R460-R464 PolarHBondContact O-N 2.86Å; R460-R464 VanDerWaalsContact O-N 3.07Å
461Y87.1Confident84.3Confident17 Ų1753.3 Ų53.37%0.06725%0.253CS..Hα-helixtrans-62.1-41.5173.9-170-114.8000112.2Y79 C82 E83 L457 A458 R463 R464 L465Y79-Y461 AromaticContact CD1-CD1 3.52Å; Y79-Y461 HydrophobicContact CD1-CD1 3.52Å; Y79-Y461 HydrophobicContact CD1-CE1 4.32Å; Y79-Y461 HydrophobicContact CD1-CG 4.45Å; Y79-Y461 HydrophobicContact CE1-CD1 4.05Å; Y79-Y461 AromaticContact CG-CD1 3.76Å; Y79-Y461 HydrophobicContact CG-CD1 3.76Å; Y79-Y461 HydrophobicContact CG-CE1 4.45Å; Y79-Y461 WeakPolarHBondContact O-CB 3.42Å; C82-Y461 HydrophobicContact CB-CD1 3.92Å; C82-Y461 HydrophobicContact CB-CD2 3.87Å; C82-Y461 HydrophobicContact CB-CE1 3.64Å; C82-Y461 HydrophobicContact CB-CE2 3.61Å; C82-Y461 HydrophobicContact CB-CG 4.04Å; C82-Y461 VanDerWaalsContact CB-CZ 3.5Å; E83-Y461 VanDerWaalsContact OE2-CA 3.24Å; E83-Y461 WeakPolarHBondContact OE2-CA 3.27Å; E83-Y461 PolarHBondContact OE2-N 2.85Å; L457-Y461 PolarHBondContact O-N 3.3Å; L457-Y461 VanDerWaalsContact O-N 3.07Å; A458-Y461 PolarHBondContact O-N 3.25Å; Y461-R463 VanDerWaalsContact C-N 3.3Å; Y461-R463 PolarHBondContact O-N 3.05Å; Y461-R464 PolarHBondContact O-N 3.5Å; Y461-L465 HydrophobicContact CD1-CD1 3.98Å; Y461-L465 HydrophobicContact CD1-CG 4.48Å; Y461-L465 HydrophobicContact CE1-CD1 3.65Å; Y461-L465 HydrophobicContact CE1-CG 4.16Å; Y461-L465 PolarHBondContact O-N 3.46Å; Y461-L465 VanDerWaalsContact O-N 3.13Å
462H85.3Confident84.2Confident10 Ų1056.4 Ų56.45%0.04627%0.266CS..Hα-helixtrans-60.3-41.4175.5-174.267.8000112.1E63 F67 Y79 A458 Q459 R460 L465 W466E63-H462 IonicContact OE1-CE1 3.55Å; E63-H462 IonicContact OE2-CE1 2.56Å; E63-H462 IonicContact OE2-NE2 2.83Å; F67-H462 HydrophobicContact CD2-CB 4.31Å; F67-H462 HydrophobicContact CE2-CB 4.1Å; F67-H462 AromaticContact CE2-CD2 3.86Å; F67-H462 AromaticContact CE2-CE1 3.57Å; F67-H462 AromaticContact CE2-CG 3.5Å; F67-H462 VanDerWaalsContact CE2-CG 3.5Å; F67-H462 AromaticContact CE2-ND1 3.32Å; F67-H462 VanDerWaalsContact CE2-ND1 3.32Å; F67-H462 WeakPolarHBondContact CE2-ND1 3.46Å; F67-H462 AromaticContact CE2-NE2 3.87Å; F67-H462 AromaticContact CZ-CE1 3.98Å; F67-H462 AromaticContact CZ-ND1 3.53Å; Y79-H462 HydrophobicContact CD1-CB 4.16Å; Y79-H462 HydrophobicContact CE1-CB 4.22Å; A458-H462 PolarHBondContact O-N 3.34Å; Q459-H462 PolarHBondContact O-N 3.15Å; R460-H462 VanDerWaalsContact C-N 3.33Å; R460-H462 PolarHBondContact O-N 3.23Å; H462-L465 PolarHBondContact O-N 3.48Å; H462-W466 PolarHBondContact O-N 3.24Å
463R81.8Confident84.2Confident41 Ų4158.3 Ų58.316%0.15527%0.269CS..Hα-helixtrans-59.4-45174.8-177.2-175.4-69.7-146.8-3.6112D287 D288 Q459 R460 Y461 L465 W466 E467D287-R463 PolarHBondContact O-NH1 2.75Å; D287-R463 PolarHBondContact O-NH2 3.16Å; D288-R463 IonicContact OD1-CZ 3.69Å; D288-R463 IonicContact OD1-NH1 3.96Å; D288-R463 PolarHBondContact OD1-NH1 3.49Å; D288-R463 IonicContact OD1-NH2 3.59Å; Q459-R463 PolarHBondContact O-N 3.47Å; R460-R463 WeakPolarHBondContact O-CB 3.42Å; R460-R463 PolarHBondContact O-N 3.39Å; Y461-R463 VanDerWaalsContact C-N 3.3Å; Y461-R463 PolarHBondContact O-N 3.05Å; R463-L465 PolarHBondContact O-N 3.28Å; R463-W466 WeakPolarHBondContact O-CB 3.33Å; R463-W466 PolarHBondContact O-N 3.07Å; R463-W466 VanDerWaalsContact O-N 3.11Å; R463-E467 PolarHBondContact O-N 2.73Å
464R84.8Confident83.9Confident45 Ų4562 Ų6217%0.1728%0.276CS..Hα-helixtrans-56.7-49.5176-68.6176.5-178.9-122.73.4111.9E83 E90 R460 Y461 W466 E467 E468E83-R464 VanDerWaalsContact CD-NE 3.27Å; E83-R464 IonicContact OE1-CZ 2.81Å; E83-R464 IonicContact OE1-NE 3.52Å; E83-R464 PolarHBondContact OE1-NE 2.78Å; E83-R464 IonicContact OE1-NH2 3.78Å; E83-R464 PolarHBondContact OE1-NH2 2.85Å; E83-R464 VanDerWaalsContact OE2-CD 3.22Å; E83-R464 WeakPolarHBondContact OE2-CD 3.45Å; E83-R464 IonicContact OE2-CZ 3.49Å; E83-R464 IonicContact OE2-NE 3.08Å; E83-R464 PolarHBondContact OE2-NE 2.72Å; E90-R464 IonicContact OE1-CZ 3.6Å; E90-R464 IonicContact OE1-NH1 3.77Å; E90-R464 PolarHBondContact OE1-NH1 2.63Å; E90-R464 IonicContact OE1-NH2 2.67Å; E90-R464 IonicContact OE2-CZ 3.93Å; E90-R464 IonicContact OE2-NH1 2.78Å; E90-R464 IonicContact OE2-NH2 3.99Å; E90-R464 PolarHBondContact OE2-NH2 2.95Å; E90-R464 VanDerWaalsContact OE2-NH2 3.08Å; R460-R464 PolarHBondContact O-N 2.86Å; R460-R464 VanDerWaalsContact O-N 3.07Å; Y461-R464 PolarHBondContact O-N 3.5Å; R464-W466 PolarHBondContact O-N 3.19Å; R464-E467 PolarHBondContact O-N 2.75Å; R464-E468 WeakPolarHBondContact O-CG 3.3Å; R464-E468 PolarHBondContact O-N 3.29Å
465L86.1Confident83.5Confident34 Ų3466.8 Ų66.818%0.17830%0.3CS..Hα-helixtrans-59.9-35.8177.2-69.3174.9000112.2Y79 Y461 H462 R463 K469Y79-L465 HydrophobicContact CE1-CD1 3.84Å; Y461-L465 HydrophobicContact CD1-CD1 3.98Å; Y461-L465 HydrophobicContact CD1-CG 4.48Å; Y461-L465 HydrophobicContact CE1-CD1 3.65Å; Y461-L465 HydrophobicContact CE1-CG 4.16Å; Y461-L465 PolarHBondContact O-N 3.46Å; Y461-L465 VanDerWaalsContact O-N 3.13Å; H462-L465 PolarHBondContact O-N 3.48Å; R463-L465 PolarHBondContact O-N 3.28Å; L465-K469 VanDerWaalsContact O-CG 3.32Å; L465-K469 WeakPolarHBondContact O-CG 3.43Å; L465-K469 PolarHBondContact O-N 3.02Å; L465-K469 VanDerWaalsContact O-N 3.11Å
466W82.2Confident82.7Confident36 Ų3673.7 Ų73.714%0.13633%0.33CS..Hα-helixtrans-68.5-45.7176.6-178.9-92.2000112.4L56 N60 H462 R463 R464 E468 K469 K470L56-W466 HydrophobicContact CD1-CH2 3.74Å; L56-W466 HydrophobicContact CD1-CZ2 4.11Å; L56-W466 HydrophobicContact CD2-CH2 4.12Å; L56-W466 HydrophobicContact CD2-CZ2 3.7Å; L56-W466 HydrophobicContact CG-CH2 3.7Å; L56-W466 HydrophobicContact CG-CZ2 3.53Å; N60-W466 HydrophobicContact CB-CD2 3.76Å; N60-W466 HydrophobicContact CB-CE3 3.99Å; N60-W466 HydrophobicContact CB-CG 4.33Å; N60-W466 HydrophobicContact CB-CH2 4.12Å; N60-W466 HydrophobicContact CB-CZ2 3.91Å; N60-W466 HydrophobicContact CB-CZ3 4.15Å; N60-W466 VanDerWaalsContact CG-CG 3.45Å; N60-W466 PolarHBondContact ND2-NE1 3.22Å; H462-W466 PolarHBondContact O-N 3.24Å; R463-W466 WeakPolarHBondContact O-CB 3.33Å; R463-W466 PolarHBondContact O-N 3.07Å; R463-W466 VanDerWaalsContact O-N 3.11Å; R464-W466 PolarHBondContact O-N 3.19Å; W466-E468 VanDerWaalsContact C-N 3.32Å; W466-E468 PolarHBondContact O-N 3.5Å; W466-K469 WeakPolarHBondContact O-CB 3.31Å; W466-K469 PolarHBondContact O-N 3.3Å; W466-K470 PolarHBondContact O-N 3.14Å
467E81.6Confident81.4Confident94 Ų9477 Ų7744%0.43935%0.351SS..Hα-helixtrans-62.2-39.8177.6-73.5174.6-165.300112R463 R464 K470 K471R463-E467 PolarHBondContact O-N 2.73Å; R464-E467 PolarHBondContact O-N 2.75Å; E467-K470 PolarHBondContact O-N 2.67Å; E467-K471 WeakPolarHBondContact O-CG 3.04Å; E467-K471 PolarHBondContact O-N 3.03Å
468E83.7Confident79.8Confident63 Ų6378.2 Ų78.229%0.29436%0.361SS..Hα-helixtrans-61-46172.7-74.2170.9-170.500111.7R464 W466 K470 K471 Q472R464-E468 WeakPolarHBondContact O-CG 3.3Å; R464-E468 PolarHBondContact O-N 3.29Å; W466-E468 VanDerWaalsContact C-N 3.32Å; W466-E468 PolarHBondContact O-N 3.5Å; E468-K470 VanDerWaalsContact C-N 3.33Å; E468-K470 PolarHBondContact O-N 3.21Å; E468-K471 PolarHBondContact O-N 2.76Å; E468-Q472 WeakPolarHBondContact O-CG 3.33Å; E468-Q472 PolarHBondContact O-N 3.5Å
469K84.6Confident78.4Confident116 Ų11683.9 Ų83.950%0.50440%0.398SS..Hα-helixtrans-60.7-41.3173.7-75.2176.3-179.1-176.60112.1L465 W466 K471 Q472 M473L465-K469 VanDerWaalsContact O-CG 3.32Å; L465-K469 WeakPolarHBondContact O-CG 3.43Å; L465-K469 PolarHBondContact O-N 3.02Å; L465-K469 VanDerWaalsContact O-N 3.11Å; W466-K469 WeakPolarHBondContact O-CB 3.31Å; W466-K469 PolarHBondContact O-N 3.3Å; K469-K471 VanDerWaalsContact C-N 3.33Å; K469-K471 PolarHBondContact O-N 3.18Å; K469-Q472 PolarHBondContact O-N 3.48Å; K469-M473 WeakPolarHBondContact O-CG 3.48Å; K469-M473 PolarHBondContact O-N 3.12Å
470K81.2Confident77.2Confident81 Ų8189.7 Ų89.735%0.35243%0.43SS..Hα-helixtrans-64.2-37.1177.1-172.2177179.9176.50111.8W466 E467 E468 R474W466-K470 PolarHBondContact O-N 3.14Å; E467-K470 PolarHBondContact O-N 2.67Å; E468-K470 VanDerWaalsContact C-N 3.33Å; E468-K470 PolarHBondContact O-N 3.21Å; K470-R474 PolarHBondContact O-N 3.35Å; K470-R474 VanDerWaalsContact O-N 3.17Å
471K83.2Confident75.8Confident98 Ų9891.7 Ų91.743%0.42645%0.445SS..Hα-helixtrans-64.8-48.5171.9-71.3172.6-177.3174.90110.9E467 E468 K469 M473 R474 D475E467-K471 WeakPolarHBondContact O-CG 3.04Å; E467-K471 PolarHBondContact O-N 3.03Å; E468-K471 PolarHBondContact O-N 2.76Å; K469-K471 VanDerWaalsContact C-N 3.33Å; K469-K471 PolarHBondContact O-N 3.18Å; K471-M473 VanDerWaalsContact C-N 3.28Å; K471-M473 PolarHBondContact O-N 2.89Å; K471-R474 PolarHBondContact O-N 2.86Å; K471-D475 PolarHBondContact O-N 2.59Å
472Q83Confident74Confident132 Ų13296.3 Ų96.362%0.61747%0.474SS*.Hα-helixtrans-60.4-34.3177.3-70.3173.89.900113.6E468 K469 K476E468-Q472 WeakPolarHBondContact O-CG 3.33Å; E468-Q472 PolarHBondContact O-N 3.5Å; K469-Q472 PolarHBondContact O-N 3.48Å; Q472-K476 PolarHBondContact O-N 3.08Å
473M78.8Confident71.9Confident111 Ų111108.4 Ų108.455%0.54753%0.53SS..Hα-helixtrans-71.3-34.2174.8-72.6-172.6-6700112.6L56 K469 K471L56-M473 HydrophobicContact CD2-CE 4.35Å; K469-M473 WeakPolarHBondContact O-CG 3.48Å; K469-M473 PolarHBondContact O-N 3.12Å; K471-M473 VanDerWaalsContact C-N 3.28Å; K471-M473 PolarHBondContact O-N 2.89Å
474R78.4Confident71.4Confident170 Ų170111.8 Ų111.864%0.64255%0.549SS*.Hα-helixtrans-74.5-34.5175.5-78-173.5-71.4-167.61.4113.1K470 K471 K476K470-R474 PolarHBondContact O-N 3.35Å; K470-R474 VanDerWaalsContact O-N 3.17Å; K471-R474 PolarHBondContact O-N 2.86Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.2Å
475D77.6Confident70.7Confident132 Ų132115.3 Ų115.371%0.70657%0.569SS**SBendtrans-83.8-3.1-178.7-64.6-18.7000113K471 P477K471-D475 PolarHBondContact O-N 2.59Å; D475-P477 WeakPolarHBondContact O-CD 3.16Å
476K69Low69.8Low163 Ų163119.8 Ų119.871%0.70959%0.591SS**SBendtrans-78.8115.6176.3-138.1177.3-174.8-175.80108Q472 R474 S478Q472-K476 PolarHBondContact O-N 3.08Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.2Å; K476-S478 PolarHBondContact O-N 2.86Å
477P56.6Low69.1Low98 Ų98124.8 Ų124.864%0.63662%0.618SS**  trans-58.4138.6176.323.1-31.1000109.1D475D475-P477 WeakPolarHBondContact O-CD 3.16Å
478S53.3Low68.3Low57 Ų57126.7 Ų126.740%0.39963%0.629SS.*  trans-56.8142.917565.90000108.5K476 D480 E481K476-S478 PolarHBondContact O-N 2.86Å; S478-D480 PolarHBondContact O-N 3.34Å; S478-E481 PolarHBondContact O-N 3.41Å
479P58.9Low67.3Low119 Ų119130.9 Ų130.977%0.77365%0.651SS**THydrogen-bonded Turntrans-59.6-4.1176.4-20.631.1000114.6
480D59.5Low66Low148 Ų148132 Ų13279%0.79166%0.662SS**THydrogen-bonded Turntrans-1041.4-172-57.3-36.4000113.8S478S478-D480 PolarHBondContact O-N 3.34Å
481E54.2Low64.9Low161 Ų161135.9 Ų135.975%0.75269%0.685SS**SBendtrans-97.610.1173.5-89.6-168.914100114.1S478S478-E481 PolarHBondContact O-N 3.41Å
482V50Low63.3Low113 Ų113139.1 Ų139.169%0.68571%0.707SS**  trans-119.469.7175.5-1710000109.3
483H40.6Very low61.5Low265 Ų265139.7 Ų139.7100%1.22772%0.715SS**  trans-161.60151.9-102-50.4000113.5

Retrieved 483 of 483 residues in 170.4 ms (Link to these results)