A0A096NC61_PAPAN Loading...

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit MAGT1

AlphaFold DB , UniProt , Accession A0A096NC61, Species PAPAN (Papio anubis, Olive baboon), Gene MAGT1, Length 367 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low32.7Very low247 Ų247162.5 Ų162.5100%1.21786%0.864SS**  0133.30-89.4171.1162.600108.8
2R31.3Very low32.6Very low233 Ų233157.3 Ų157.388%0.87985%0.85SS**  trans-8.7147.5162.4-69.5169.2177.2175.1-1115.8
3K33.6Very low32.6Very low200 Ų200162.6 Ų162.687%0.8785%0.851SS**  cis-179.5155.517.1-108.3172.8172.2-1780101.6
4G33.2Very low32.9Very low69 Ų69160.1 Ų160.171%0.71185%0.849SS**  cis169.1135.25.300000109
5K35Very low33Very low217 Ų217156.4 Ų156.494%0.94384%0.835SS**  trans65.8107.6146.8-66.5-175.6175.1-177.20120.6
6G33.7Very low33Very low80 Ų80156.2 Ų156.283%0.82583%0.833SS**  trans-84.2-179.4156.200000114.3
7S31.9Very low32.9Very low111 Ų111160.5 Ų160.578%0.77684%0.835SS**  trans-46.3156.7-176-520000118
8I33.3Very low33.6Very low165 Ų165158.6 Ų158.685%0.84683%0.834SS**  168.5139.7113-83.8154.6000111
9C30.3Very low33.5Very low113 Ų113156.4 Ų156.476%0.76483%0.834SS**  trans-53.5154.1176.1-59.30000115.6
10L30.4Very low33.7Very low153 Ų153160.4 Ų160.480%0.80184%0.836SS**  trans-177.9123.5136.5-97.8144.3000107.8
11F31.2Very low33.8Very low199 Ų199157.8 Ų157.887%0.87383%0.832SS**  -175.9127119.5-113.6-90.4000112.2
12S31.3Very low33.6Very low100 Ų100155.1 Ų155.170%0.69981%0.813SS**  trans-29.9146.3173.3-59.80000120.3
13R32.2Very low34.1Very low227 Ų227150.8 Ų150.886%0.85781%0.812SS**  trans-66.2161.4154.2-78.1-179.1174.4-173.7-1.8111.6
14P36.5Very low34.4Very low127 Ų127146.2 Ų146.283%0.82581%0.806SS**  -122.2144.1126.614.24.9000112.7
15T35.1Very low34.6Very low105 Ų105150.6 Ų150.664%0.64481%0.812SS**  trans-77.7147.7172.645.10000112.3
16L32.2Very low34.8Very low153 Ų153147.3 Ų147.380%0.80180%0.803SS**  174.6117.4123.2-97.8144.9000114.5
17R32.5Very low35.1Very low229 Ų229153 Ų15386%0.86481%0.808SS**  trans44.1145.7145.4-76.8-175.9-163-151.44.3124.5
18P44.4Very low35.4Very low126 Ų126150.7 Ų150.782%0.81880%0.802SS**  trans-93.9155.4-177.439-32.9000112.8
19S31.4Very low35.8Very low118 Ų118153.1 Ų153.183%0.82580%0.801SS**  trans-130.5126.8164.4-174.80000111.4
20R39.3Very low36.3Very low235 Ų235150 Ų15089%0.88779%0.788SS**  trans-66.7122.1173.7-96.4171.1163.8172.2-5.1109.8
21S35.7Very low37.1Very low106 Ų106146.1 Ų146.174%0.74178%0.777SS**  trans17293.8134.642.30000109.6
22K32.2Very low38Very low191 Ų191141.9 Ų141.983%0.8376%0.764SS**  trans-174.451.3147-98.8166.4-166.1-172.60108.3S24K22-S24 PolarHBondContact O-N 3.48Å
23V41.3Very low38.9Very low142 Ų142143 Ų14386%0.86176%0.76SS**  trans-88.491.8162.4175.90000105
24S38.8Very low39.9Very low105 Ų105135.1 Ų135.173%0.73474%0.743SS**SBendtrans169.520.1161.5540000114.7K22K22-S24 PolarHBondContact O-N 3.48Å
25L38.1Very low40.8Very low161 Ų161131.5 Ų131.584%0.84372%0.724SS**SBendtrans-149.222.7-180-114143.8000115.8
26I39.6Very low41.8Very low147 Ų147135.8 Ų135.875%0.75473%0.728SS**SBendtrans-115.9-0.9176.6-61.1179.6000112.1G28I26-G28 VanDerWaalsContact C-N 3.35Å; I26-G28 PolarHBondContact O-N 3.37Å
27E39Very low43Very low200 Ų200137.4 Ų137.494%0.93572%0.724SS**THydrogen-bonded Turntrans-90.27.9-173.1-142.8161.1-173.900114.6
28G39.3Very low44.2Very low62 Ų62130.5 Ų130.564%0.63971%0.709SS**THydrogen-bonded Turntrans-118.4-8.4-179.500000115.8I26I26-G28 VanDerWaalsContact C-N 3.35Å; I26-G28 PolarHBondContact O-N 3.37Å
29R41Very low45.3Very low217 Ų217129 Ų12982%0.81970%0.698SS**THydrogen-bonded Turntrans-118-12.4-169.6-131.6173.4-178.3178.3-0115.2
30G41.3Very low47Very low48 Ų48132.6 Ų132.650%0.49569%0.693SS.*SBendtrans-80-29.8176.300000114.5N32 A34G30-N32 PolarHBondContact O-N 3.33Å; G30-A34 PolarHBondContact O-N 3.46Å
31A47Very low48.4Very low70 Ų70124.8 Ų124.858%0.57967%0.674SS**Hα-helixtrans-68.4-33.3-176.900000113.3A35A31-A35 WeakPolarHBondContact O-CB 3.46Å; A31-A35 PolarHBondContact O-N 3.31Å; A31-A35 VanDerWaalsContact O-N 3.14Å
32N49.2Very low50.2Low111 Ų111124 Ų12459%0.59467%0.665SS**Hα-helixtrans-79.2-23.9-176.6-72.2-19.6000114.4G30 R36G30-N32 PolarHBondContact O-N 3.33Å; N32-R36 WeakPolarHBondContact O-CB 3.44Å; N32-R36 WeakPolarHBondContact O-CG 3.24Å; N32-R36 PolarHBondContact O-N 3.14Å
33M50.2Low52.1Low124 Ų124118 Ų11861%0.61165%0.647SS**Hα-helixtrans-81.8-41173.4-89.9-169.6-74.100111.7A35 R36 W37M33-A35 VanDerWaalsContact C-N 3.34Å; M33-A35 PolarHBondContact O-N 3.4Å; M33-R36 PolarHBondContact O-N 3.4Å; M33-W37 WeakPolarHBondContact O-CB 3.37Å; M33-W37 VanDerWaalsContact O-CD1 3.23Å; M33-W37 PolarHBondContact O-N 2.91Å
34A54.2Low53.7Low60 Ų60114.6 Ų114.650%0.49663%0.626SS.*Hα-helixtrans-62.4-41.1175.500000111.8G30 W37 C38G30-A34 PolarHBondContact O-N 3.46Å; A34-W37 PolarHBondContact O-N 2.98Å; A34-C38 WeakPolarHBondContact O-CB 3.39Å; A34-C38 PolarHBondContact O-N 3.42Å
35A55.8Low55.4Low52 Ų52113.7 Ų113.743%0.4362%0.616SS.*Hα-helixtrans-64.5-43175.400000112.4A31 M33 C38 V39A31-A35 WeakPolarHBondContact O-CB 3.46Å; A31-A35 PolarHBondContact O-N 3.31Å; A31-A35 VanDerWaalsContact O-N 3.14Å; M33-A35 VanDerWaalsContact C-N 3.34Å; M33-A35 PolarHBondContact O-N 3.4Å; A35-C38 PolarHBondContact O-N 3.45Å; A35-V39 VanDerWaalsContact O-CG2 3.24Å; A35-V39 WeakPolarHBondContact O-CG2 3.34Å; A35-V39 PolarHBondContact O-N 3.37Å
36R56Low57.1Low194 Ų194110.8 Ų110.873%0.73260%0.599SS**Hα-helixtrans-66.6-37.8176.8-79.7173.369.3175.21.3112.6N32 M33 W40N32-R36 WeakPolarHBondContact O-CB 3.44Å; N32-R36 WeakPolarHBondContact O-CG 3.24Å; N32-R36 PolarHBondContact O-N 3.14Å; M33-R36 PolarHBondContact O-N 3.4Å; R36-W40 WeakPolarHBondContact O-CB 3.41Å; R36-W40 PolarHBondContact O-N 2.88Å
37W57.3Low58.7Low188 Ų188106.1 Ų106.171%0.71258%0.583SS**Hα-helixtrans-68.5-40.4174.7-87.372.9000112.3M33 A34 W40 C41M33-W37 WeakPolarHBondContact O-CB 3.37Å; M33-W37 VanDerWaalsContact O-CD1 3.23Å; M33-W37 PolarHBondContact O-N 2.91Å; A34-W37 PolarHBondContact O-N 2.98Å; W37-W40 PolarHBondContact O-N 2.9Å; W37-C41 WeakPolarHBondContact O-CB 3.35Å; W37-C41 PolarHBondContact O-N 3.45Å; W37-C41 PolarHBondContact O-SG 2.94Å; W37-C41 VanDerWaalsContact O-SG 3.37Å
38C57.3Low60.4Low83 Ų83100.1 Ų100.156%0.56156%0.56SS**Hα-helixtrans-62.2-45.3172.8-84.30000111.8A34 A35 W40 C41 V42A34-C38 WeakPolarHBondContact O-CB 3.39Å; A34-C38 PolarHBondContact O-N 3.42Å; A35-C38 PolarHBondContact O-N 3.45Å; C38-W40 VanDerWaalsContact C-N 3.33Å; C38-W40 PolarHBondContact O-N 3.44Å; C38-C41 PolarHBondContact O-N 3.41Å; C38-V42 WeakPolarHBondContact O-CB 3.39Å; C38-V42 WeakPolarHBondContact O-CG2 3.41Å; C38-V42 PolarHBondContact O-N 2.67Å
39V66.2Low61.9Low95 Ų9599.2 Ų99.258%0.57655%0.546SS*.Hα-helixtrans-64.4-38.6178.2173.20000111.4A35 S43A35-V39 VanDerWaalsContact O-CG2 3.24Å; A35-V39 WeakPolarHBondContact O-CG2 3.34Å; A35-V39 PolarHBondContact O-N 3.37Å; V39-S43 VanDerWaalsContact O-CB 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.16Å; V39-S43 PolarHBondContact O-N 2.94Å; V39-S43 PolarHBondContact O-OG 3.06Å
40W67.6Low63.2Low193 Ų19393.1 Ų93.173%0.73153%0.529SS*.Hα-helixtrans-68.8-44.6176.8-132.171.4000112.1R36 W37 C38 V42 S43 V44R36-W40 WeakPolarHBondContact O-CB 3.41Å; R36-W40 PolarHBondContact O-N 2.88Å; W37-W40 PolarHBondContact O-N 2.9Å; C38-W40 VanDerWaalsContact C-N 3.33Å; C38-W40 PolarHBondContact O-N 3.44Å; W40-V42 PolarHBondContact O-N 2.94Å; W40-S43 PolarHBondContact O-N 3.48Å; W40-V44 HydrophobicContact CE3-CG2 4.05Å; W40-V44 HydrophobicContact CZ3-CG2 4.24Å; W40-V44 WeakPolarHBondContact O-CB 3.27Å; W40-V44 VanDerWaalsContact O-CG2 3.27Å; W40-V44 WeakPolarHBondContact O-CG2 3.48Å; W40-V44 PolarHBondContact O-N 2.91Å
41C68.8Low64.3Low71 Ų7196.1 Ų96.148%0.4853%0.533SS..Hα-helixtrans-62.2-42.2175.3-75.90000112.1W37 C38 S43 V44 T45W37-C41 WeakPolarHBondContact O-CB 3.35Å; W37-C41 PolarHBondContact O-N 3.45Å; W37-C41 PolarHBondContact O-SG 2.94Å; W37-C41 VanDerWaalsContact O-SG 3.37Å; C38-C41 PolarHBondContact O-N 3.41Å; C41-S43 VanDerWaalsContact C-N 3.34Å; C41-V44 PolarHBondContact O-N 3.41Å; C41-T45 WeakPolarHBondContact O-CG2 3.32Å; C41-T45 PolarHBondContact O-N 2.9Å; C41-T45 PolarHBondContact O-OG1 2.89Å; C41-T45 VanDerWaalsContact O-OG1 3.06Å
42V74.1Confident65.1Low90 Ų9097.9 Ų97.955%0.54553%0.532SS..Hα-helixtrans-66.9-36.6176.8173.20000111.5C38 W40 T45 M46C38-V42 WeakPolarHBondContact O-CB 3.39Å; C38-V42 WeakPolarHBondContact O-CG2 3.41Å; C38-V42 PolarHBondContact O-N 2.67Å; W40-V42 PolarHBondContact O-N 2.94Å; V42-T45 WeakPolarHBondContact CA-OG1 3.29Å; V42-T45 PolarHBondContact O-OG1 3.28Å; V42-T45 VanDerWaalsContact O-OG1 3.04Å; V42-M46 VanDerWaalsContact O-CB 3.25Å; V42-M46 WeakPolarHBondContact O-CB 3.25Å; V42-M46 WeakPolarHBondContact O-CG 3.35Å; V42-M46 PolarHBondContact O-N 3.04Å
43S71.5Confident65.7Low66 Ų6697.9 Ų97.946%0.46254%0.536SS..Hα-helixtrans-69.6-38.8176.7-580000112V39 W40 C41 A47V39-S43 VanDerWaalsContact O-CB 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.16Å; V39-S43 PolarHBondContact O-N 2.94Å; V39-S43 PolarHBondContact O-OG 3.06Å; W40-S43 PolarHBondContact O-N 3.48Å; C41-S43 VanDerWaalsContact C-N 3.34Å; S43-A47 WeakPolarHBondContact O-CB 3.34Å; S43-A47 PolarHBondContact O-N 2.89Å
44V76.3Confident66.2Low69 Ų69100.8 Ų100.842%0.41854%0.542SS..Hα-helixtrans-70.6-41.3176.7172.50000111W40 C41 M46 A47 V48W40-V44 HydrophobicContact CE3-CG2 4.05Å; W40-V44 HydrophobicContact CZ3-CG2 4.24Å; W40-V44 WeakPolarHBondContact O-CB 3.27Å; W40-V44 VanDerWaalsContact O-CG2 3.27Å; W40-V44 WeakPolarHBondContact O-CG2 3.48Å; W40-V44 PolarHBondContact O-N 2.91Å; C41-V44 PolarHBondContact O-N 3.41Å; V44-M46 VanDerWaalsContact C-N 3.35Å; V44-A47 PolarHBondContact O-N 3.34Å; V44-V48 HydrophobicContact CG1-CG2 4.42Å; V44-V48 WeakPolarHBondContact O-CB 3.32Å; V44-V48 VanDerWaalsContact O-CG2 3.24Å; V44-V48 WeakPolarHBondContact O-CG2 3.24Å; V44-V48 PolarHBondContact O-N 2.86Å
45T74.1Confident66.2Low87 Ų87104.2 Ų104.253%0.53455%0.552SS.*Hα-helixtrans-67.4-36.2175.1550000111.9C41 V42 A49C41-T45 WeakPolarHBondContact O-CG2 3.32Å; C41-T45 PolarHBondContact O-N 2.9Å; C41-T45 PolarHBondContact O-OG1 2.89Å; C41-T45 VanDerWaalsContact O-OG1 3.06Å; V42-T45 WeakPolarHBondContact CA-OG1 3.29Å; V42-T45 PolarHBondContact O-OG1 3.28Å; V42-T45 VanDerWaalsContact O-OG1 3.04Å; T45-A49 WeakPolarHBondContact O-CB 3.33Å; T45-A49 PolarHBondContact O-N 2.9Å
46M73.6Confident66.1Low99 Ų99105.9 Ų105.949%0.48856%0.556SS.*Hα-helixtrans-66-41.5172.4-86.4-95.144.800112.6V42 V44 A49 L50V42-M46 VanDerWaalsContact O-CB 3.25Å; V42-M46 WeakPolarHBondContact O-CB 3.25Å; V42-M46 WeakPolarHBondContact O-CG 3.35Å; V42-M46 PolarHBondContact O-N 3.04Å; V44-M46 VanDerWaalsContact C-N 3.35Å; M46-A49 HydrophobicContact CE-CB 4.41Å; M46-A49 PolarHBondContact O-N 2.89Å; M46-L50 HydrophobicContact CE-CD1 4.04Å; M46-L50 WeakPolarHBondContact O-CB 3.34Å; M46-L50 PolarHBondContact O-N 3.4Å
47A73.9Confident65.9Low49 Ų49101.4 Ų101.441%0.40555%0.552SS.*Hα-helixtrans-66.3-40.7176.500000112.1S43 V44 L50 L51S43-A47 WeakPolarHBondContact O-CB 3.34Å; S43-A47 PolarHBondContact O-N 2.89Å; V44-A47 PolarHBondContact O-N 3.34Å; A47-L50 PolarHBondContact O-N 3.4Å; A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 WeakPolarHBondContact O-CG 3.49Å; A47-L51 PolarHBondContact O-N 2.84Å
48V72.8Confident65.8Low74 Ų7495.1 Ų95.145%0.44854%0.537SS..Hα-helixtrans-67.5-40174.9172.70000111V44 L51 I52V44-V48 HydrophobicContact CG1-CG2 4.42Å; V44-V48 WeakPolarHBondContact O-CB 3.32Å; V44-V48 VanDerWaalsContact O-CG2 3.24Å; V44-V48 WeakPolarHBondContact O-CG2 3.24Å; V44-V48 PolarHBondContact O-N 2.86Å; V48-L51 PolarHBondContact O-N 2.94Å; V48-I52 HydrophobicContact CG1-CD1 3.81Å; V48-I52 HydrophobicContact CG1-CG1 4.47Å; V48-I52 WeakPolarHBondContact O-CB 3.22Å; V48-I52 WeakPolarHBondContact O-CD1 3.21Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 2.88Å
49A71.8Confident65.9Low43 Ų4394.1 Ų94.136%0.35554%0.535SS..Hα-helixtrans-64.9-40174.100000112.1T45 M46 I52 V53T45-A49 WeakPolarHBondContact O-CB 3.33Å; T45-A49 PolarHBondContact O-N 2.9Å; M46-A49 HydrophobicContact CE-CB 4.41Å; M46-A49 PolarHBondContact O-N 2.89Å; A49-I52 PolarHBondContact O-N 3.4Å; A49-V53 VanDerWaalsContact O-CG2 3.22Å; A49-V53 WeakPolarHBondContact O-CG2 3.44Å; A49-V53 PolarHBondContact O-N 3.25Å
50L68.6Low65.8Low89 Ų8993.3 Ų93.347%0.46653%0.533SS..Hα-helixtrans-64.5-42174-105.3135.7000111.6M46 A47 V53 Y54M46-L50 HydrophobicContact CE-CD1 4.04Å; M46-L50 WeakPolarHBondContact O-CB 3.34Å; M46-L50 PolarHBondContact O-N 3.4Å; A47-L50 PolarHBondContact O-N 3.4Å; L50-V53 PolarHBondContact O-N 2.95Å; L50-Y54 HydrophobicContact CD2-CD2 4.12Å; L50-Y54 HydrophobicContact CD2-CE2 3.82Å; L50-Y54 WeakPolarHBondContact O-CD2 3.48Å; L50-Y54 PolarHBondContact O-N 3.39Å
51L64Low65.7Low111 Ų11186.2 Ų86.258%0.58152%0.515SS*.Hα-helixtrans-64.4-41.2175-74.3168.3000111.7A47 V48 V53 Y54 D55A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 WeakPolarHBondContact O-CG 3.49Å; A47-L51 PolarHBondContact O-N 2.84Å; V48-L51 PolarHBondContact O-N 2.94Å; L51-V53 VanDerWaalsContact C-N 3.3Å; L51-V53 PolarHBondContact O-N 3.23Å; L51-Y54 PolarHBondContact O-N 2.9Å; L51-D55 WeakPolarHBondContact O-CB 3.21Å; L51-D55 PolarHBondContact O-N 3.36Å
52I63.3Low65.8Low108 Ų10888.1 Ų88.155%0.55452%0.517SS*.Hα-helixtrans-64.5-33.8174.9-67.3165.2000111.5V48 A49 V56V48-I52 HydrophobicContact CG1-CD1 3.81Å; V48-I52 HydrophobicContact CG1-CG1 4.47Å; V48-I52 WeakPolarHBondContact O-CB 3.22Å; V48-I52 WeakPolarHBondContact O-CD1 3.21Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 2.88Å; A49-I52 PolarHBondContact O-N 3.4Å; I52-V56 WeakPolarHBondContact O-CG2 3.08Å
53V62.6Low65.7Low111 Ų11192.8 Ų92.867%0.67353%0.525SS*.Hα-helixtrans-74.3-32.3176172.60000112A49 L50 L51A49-V53 VanDerWaalsContact O-CG2 3.22Å; A49-V53 WeakPolarHBondContact O-CG2 3.44Å; A49-V53 PolarHBondContact O-N 3.25Å; L50-V53 PolarHBondContact O-N 2.95Å; L51-V53 VanDerWaalsContact C-N 3.3Å; L51-V53 PolarHBondContact O-N 3.23Å
54Y59.8Low66Low185 Ų18596.4 Ų96.473%0.72553%0.533SS*.Hα-helixtrans-79.6-30.4176.7-92.2-93.1000113.5L50 L51L50-Y54 HydrophobicContact CD2-CD2 4.12Å; L50-Y54 HydrophobicContact CD2-CE2 3.82Å; L50-Y54 WeakPolarHBondContact O-CD2 3.48Å; L50-Y54 PolarHBondContact O-N 3.39Å; L51-Y54 PolarHBondContact O-N 2.9Å
55D54.1Low66.2Low132 Ų13299.6 Ų99.671%0.70654%0.541SS*.SBendtrans-90.713179.9-101.7-38.4000114.6L51 P57L51-D55 WeakPolarHBondContact O-CB 3.21Å; L51-D55 PolarHBondContact O-N 3.36Å; D55-P57 WeakPolarHBondContact O-CD 3.37Å
56V54.8Low66.6Low87 Ų87101 Ų10153%0.52754%0.541SS..  trans-93.996.9163.5176.80000107.7I52 S58I52-V56 WeakPolarHBondContact O-CG2 3.08Å; V56-S58 PolarHBondContact O-N 2.89Å
57P51Low67.1Low99 Ų99102 Ų10264%0.64355%0.546SS*.  trans-61.7108.3162.67.31.8000106.4D55 A59D55-P57 WeakPolarHBondContact O-CD 3.37Å; P57-A59 PolarHBondContact O-N 2.93Å
58S56.2Low67.7Low56 Ų56102.5 Ų102.539%0.39254%0.544SS..  trans-1.790166.3171.10000113.9V56 S60 A61 Q62V56-S58 PolarHBondContact O-N 2.89Å; S58-S60 PolarHBondContact O-N 3.19Å; S58-S60 PolarHBondContact OG-OG 2.94Å; S58-A61 PolarHBondContact O-N 3.47Å; S58-A61 WeakPolarHBondContact OG-CB 3.21Å; S58-A61 PolarHBondContact OG-N 2.85Å; S58-Q62 PolarHBondContact O-N 3.02Å
59A59.5Low68.5Low63 Ų63100.5 Ų100.552%0.52153%0.531SS..Hα-helixtrans-54.7-24.7173.100000111.7P57 R63P57-A59 PolarHBondContact O-N 2.93Å; A59-R63 WeakPolarHBondContact O-CB 3.39Å; A59-R63 WeakPolarHBondContact O-CG 3.32Å; A59-R63 PolarHBondContact O-N 3.15Å
60S62.9Low69.3Low78 Ų78101.8 Ų101.855%0.54554%0.537SS..Hα-helixtrans-70.3-38.6172.857.20000113.8S58 K64S58-S60 PolarHBondContact O-N 3.19Å; S58-S60 PolarHBondContact OG-OG 2.94Å; S60-K64 WeakPolarHBondContact O-CB 3.46Å; S60-K64 VanDerWaalsContact O-CG 3.32Å; S60-K64 WeakPolarHBondContact O-CG 3.32Å; S60-K64 PolarHBondContact O-N 3.06Å
61A66.3Low70.4Confident43 Ų43101.7 Ų101.736%0.35554%0.535SS..Hα-helixtrans-71.7-35.6175.800000112.1S58 K64 K65S58-A61 PolarHBondContact O-N 3.47Å; S58-A61 WeakPolarHBondContact OG-CB 3.21Å; S58-A61 PolarHBondContact OG-N 2.85Å; A61-K64 PolarHBondContact O-N 2.91Å; A61-K65 WeakPolarHBondContact O-CG 3.37Å; A61-K65 PolarHBondContact O-N 3.01Å
62Q69.9Low71.6Confident112 Ų11297 Ų9752%0.52351%0.509SS..Hα-helixtrans-69.6-43.9175.9-162.6161-34.400111.5S58 K64 K65 E66S58-Q62 PolarHBondContact O-N 3.02Å; Q62-K64 VanDerWaalsContact C-N 3.35Å; Q62-K64 PolarHBondContact O-N 3.36Å; Q62-K65 PolarHBondContact O-N 3.43Å; Q62-K65 VanDerWaalsContact O-N 3.17Å; Q62-E66 PolarHBondContact O-N 2.96Å
63R72.4Confident73Confident188 Ų18892.5 Ų92.571%0.70949%0.487SS*.Hα-helixtrans-59.2-40.7170.9-81.6-177.8176.2-174.80.2113.1A59 E66 M67A59-R63 WeakPolarHBondContact O-CB 3.39Å; A59-R63 WeakPolarHBondContact O-CG 3.32Å; A59-R63 PolarHBondContact O-N 3.15Å; R63-E66 PolarHBondContact O-N 3.06Å; R63-M67 WeakPolarHBondContact O-CB 3.23Å; R63-M67 PolarHBondContact O-N 3.3Å
64K77.8Confident74.4Confident141 Ų14190.4 Ų90.461%0.61348%0.477SS*.Hα-helixtrans-61.7-42.4174.5-79.6179.8-179.3-174.80111.9S60 A61 Q62 M67 V68S60-K64 WeakPolarHBondContact O-CB 3.46Å; S60-K64 VanDerWaalsContact O-CG 3.32Å; S60-K64 WeakPolarHBondContact O-CG 3.32Å; S60-K64 PolarHBondContact O-N 3.06Å; A61-K64 PolarHBondContact O-N 2.91Å; Q62-K64 VanDerWaalsContact C-N 3.35Å; Q62-K64 PolarHBondContact O-N 3.36Å; K64-M67 PolarHBondContact O-N 2.9Å; K64-V68 VanDerWaalsContact O-CG2 3.28Å; K64-V68 WeakPolarHBondContact O-CG2 3.5Å; K64-V68 PolarHBondContact O-N 2.8Å
65K79.9Confident75.9Confident137 Ų13783.7 Ų83.760%0.59645%0.452SS*.Hα-helixtrans-64.2-42.6176.7-74.3174.3-176.8175.80112.1A61 Q62 V68 L69 P101A61-K65 WeakPolarHBondContact O-CG 3.37Å; A61-K65 PolarHBondContact O-N 3.01Å; Q62-K65 PolarHBondContact O-N 3.43Å; Q62-K65 VanDerWaalsContact O-N 3.17Å; K65-V68 PolarHBondContact O-N 3.2Å; K65-L69 VanDerWaalsContact O-CB 3.32Å; K65-L69 WeakPolarHBondContact O-CB 3.37Å; K65-L69 PolarHBondContact O-N 3.05Å; K65-P101 WeakPolarHBondContact O-CG 3.45Å
66E82.6Confident77.7Confident115 Ų11577.4 Ų77.454%0.53742%0.419SS..Hα-helixtrans-65.1-40.3177.3-74175176.500112.2Q62 R63 L69 S70Q62-E66 PolarHBondContact O-N 2.96Å; R63-E66 PolarHBondContact O-N 3.06Å; E66-L69 WeakPolarHBondContact O-CB 3.32Å; E66-L69 PolarHBondContact O-N 2.95Å; E66-S70 PolarHBondContact O-N 2.94Å; E66-S70 PolarHBondContact O-OG 3.04Å
67M84.2Confident79.5Confident120 Ų12075.4 Ų75.459%0.59140%0.404SS*.Hα-helixtrans-66.8-41.7176.5-173.3171.951.700112.3R63 K64 L69 S70 E71R63-M67 WeakPolarHBondContact O-CB 3.23Å; R63-M67 PolarHBondContact O-N 3.3Å; K64-M67 PolarHBondContact O-N 2.9Å; M67-L69 VanDerWaalsContact C-N 3.3Å; M67-L69 PolarHBondContact O-N 3.02Å; M67-S70 PolarHBondContact O-N 3.25Å; M67-S70 PolarHBondContact O-OG 2.99Å; M67-E71 WeakPolarHBondContact O-CB 3.26Å; M67-E71 PolarHBondContact O-N 3.37Å
68V87.9Confident81.5Confident61 Ų6175.3 Ų75.337%0.3740%0.395SS..Hα-helixtrans-65.6-36.3173.91720000111.2K64 K65 K72K64-V68 VanDerWaalsContact O-CG2 3.28Å; K64-V68 WeakPolarHBondContact O-CG2 3.5Å; K64-V68 PolarHBondContact O-N 2.8Å; K65-V68 PolarHBondContact O-N 3.2Å; V68-K72 WeakPolarHBondContact O-CG 3.32Å; V68-K72 PolarHBondContact O-N 3.31Å
69L89Confident83.2Confident31 Ų3176 Ų7616%0.16239%0.389CS..Hα-helixtrans-65.7-47.4177-179.764.1000111.4K65 E66 M67 E71 K72 V73 P101 N103 Y104K65-L69 VanDerWaalsContact O-CB 3.32Å; K65-L69 WeakPolarHBondContact O-CB 3.37Å; K65-L69 PolarHBondContact O-N 3.05Å; E66-L69 WeakPolarHBondContact O-CB 3.32Å; E66-L69 PolarHBondContact O-N 2.95Å; M67-L69 VanDerWaalsContact C-N 3.3Å; M67-L69 PolarHBondContact O-N 3.02Å; L69-E71 VanDerWaalsContact C-N 3.3Å; L69-E71 PolarHBondContact O-N 3.4Å; L69-K72 PolarHBondContact O-N 3.39Å; L69-V73 HydrophobicContact CD1-CG2 4.47Å; L69-V73 WeakPolarHBondContact O-CG2 3.32Å; L69-V73 PolarHBondContact O-N 2.82Å; L69-P101 HydrophobicContact CB-CG 3.97Å; L69-P101 HydrophobicContact CD1-CB 4.39Å; L69-P101 HydrophobicContact CD1-CG 4.42Å; L69-P101 WeakPolarHBondContact CD1-O 3.4Å; L69-N103 HydrophobicContact CD1-CB 4.42Å; L69-N103 HydrophobicContact CD2-CB 4.08Å; L69-Y104 HydrophobicContact CD1-CE1 4.44Å
70S88.2Confident84.7Confident70 Ų7073.4 Ų73.449%0.4937%0.367SS..Hα-helixtrans-63.7-37.8179.565.30000111.7E66 M67 V73 S74E66-S70 PolarHBondContact O-N 2.94Å; E66-S70 PolarHBondContact O-OG 3.04Å; M67-S70 PolarHBondContact O-N 3.25Å; M67-S70 PolarHBondContact O-OG 2.99Å; S70-V73 PolarHBondContact O-N 2.94Å; S70-S74 WeakPolarHBondContact O-CB 3.33Å; S70-S74 PolarHBondContact O-N 3.45Å; S70-S74 PolarHBondContact O-OG 2.99Å
71E91.1Very high85.9Confident88 Ų8874.2 Ų74.241%0.41137%0.365SS..Hα-helixtrans-63.8-42.7174.2-163.3-163.2147.500112.2M67 L69 V73 S74 Q75M67-E71 WeakPolarHBondContact O-CB 3.26Å; M67-E71 PolarHBondContact O-N 3.37Å; L69-E71 VanDerWaalsContact C-N 3.3Å; L69-E71 PolarHBondContact O-N 3.4Å; E71-V73 PolarHBondContact O-N 3.49Å; E71-S74 WeakPolarHBondContact CA-OG 3.49Å; E71-S74 PolarHBondContact O-N 3.37Å; E71-S74 PolarHBondContact O-OG 2.64Å; E71-Q75 WeakPolarHBondContact O-CB 3.28Å; E71-Q75 VanDerWaalsContact O-CG 3.24Å; E71-Q75 WeakPolarHBondContact O-CG 3.47Å; E71-Q75 PolarHBondContact O-N 2.97Å; E71-Q75 PolarHBondContact OE1-NE2 3.03Å
72K90.3Very high87.1Confident12 Ų1278.8 Ų78.85%0.05238%0.377CS..Hα-helixtrans-62.8-42.8174.8-74.8-177.2-176.9-169.30111.7V68 L69 L76 R95 L96 A99 P100V68-K72 WeakPolarHBondContact O-CG 3.32Å; V68-K72 PolarHBondContact O-N 3.31Å; L69-K72 PolarHBondContact O-N 3.39Å; K72-L76 WeakPolarHBondContact O-CG 3.28Å; K72-L76 PolarHBondContact O-N 2.84Å; K72-R95 WeakPolarHBondContact CE-O 3.25Å; K72-R95 PolarHBondContact NZ-O 2.9Å; K72-L96 HydrophobicContact CB-CD2 4.32Å; K72-L96 HydrophobicContact CG-CD2 4.14Å; K72-A99 PolarHBondContact NZ-O 3.12Å; K72-P100 PolarHBondContact NZ-O 3.47Å
73V92.1Very high88.1Confident14 Ų1480.9 Ų80.99%0.08538%0.38CS..Hα-helixtrans-67.2-43179.91740000110.7L69 S70 E71 Q75 L76 M77 N103 Y104 N144L69-V73 HydrophobicContact CD1-CG2 4.47Å; L69-V73 WeakPolarHBondContact O-CG2 3.32Å; L69-V73 PolarHBondContact O-N 2.82Å; S70-V73 PolarHBondContact O-N 2.94Å; E71-V73 PolarHBondContact O-N 3.49Å; V73-Q75 PolarHBondContact O-N 3.48Å; V73-L76 PolarHBondContact O-N 2.84Å; V73-M77 HydrophobicContact CG1-CG 4.27Å; V73-M77 WeakPolarHBondContact O-CB 3.28Å; V73-M77 WeakPolarHBondContact O-CG 3.3Å; V73-M77 PolarHBondContact O-N 3.17Å; V73-N103 WeakPolarHBondContact CG2-OD1 3.36Å; V73-Y104 HydrophobicContact CG2-CD1 3.66Å; V73-Y104 HydrophobicContact CG2-CE1 3.75Å; V73-N144 HydrophobicContact CG1-CB 4.2Å
74S91.8Very high89Confident67 Ų6773.1 Ų73.147%0.46935%0.354SS..Hα-helixtrans-63.4-41.8177.965.50000111.7S70 E71 M77 E78S70-S74 WeakPolarHBondContact O-CB 3.33Å; S70-S74 PolarHBondContact O-N 3.45Å; S70-S74 PolarHBondContact O-OG 2.99Å; E71-S74 WeakPolarHBondContact CA-OG 3.49Å; E71-S74 PolarHBondContact O-N 3.37Å; E71-S74 PolarHBondContact O-OG 2.64Å; S74-M77 PolarHBondContact O-N 3.01Å; S74-E78 PolarHBondContact O-N 2.95Å
75Q92.3Very high89.8Confident43 Ų4366.9 Ų66.920%0.20133%0.328CS..Hα-helixtrans-60-45.7174.2-74.7171.51000112.1E71 V73 M77 E78 W79E71-Q75 WeakPolarHBondContact O-CB 3.28Å; E71-Q75 VanDerWaalsContact O-CG 3.24Å; E71-Q75 WeakPolarHBondContact O-CG 3.47Å; E71-Q75 PolarHBondContact O-N 2.97Å; E71-Q75 PolarHBondContact OE1-NE2 3.03Å; V73-Q75 PolarHBondContact O-N 3.48Å; Q75-M77 VanDerWaalsContact C-N 3.35Å; Q75-M77 PolarHBondContact O-N 3.42Å; Q75-E78 PolarHBondContact O-N 2.9Å; Q75-W79 PolarHBondContact O-N 3.49Å
76L91.7Very high90.5Very high1 Ų160.7 Ų60.71%0.00530%0.301CS..Hα-helixtrans-64.3-39.4177.3-75171.3000112.2K72 V73 W79 T80 I86 M88 L96 Y104 F147K72-L76 WeakPolarHBondContact O-CG 3.28Å; K72-L76 PolarHBondContact O-N 2.84Å; V73-L76 PolarHBondContact O-N 2.84Å; L76-W79 PolarHBondContact O-N 2.75Å; L76-T80 WeakPolarHBondContact O-CB 3.35Å; L76-T80 PolarHBondContact O-N 3.07Å; L76-T80 PolarHBondContact O-OG1 3.36Å; L76-I86 HydrophobicContact CD2-CD1 3.7Å; L76-M88 HydrophobicContact CD2-CE 4.35Å; L76-L96 HydrophobicContact CD2-CD1 4.06Å; L76-Y104 HydrophobicContact CD1-CD1 4.37Å; L76-Y104 HydrophobicContact CD1-CD2 4.06Å; L76-Y104 HydrophobicContact CD1-CE1 3.84Å; L76-Y104 HydrophobicContact CD1-CE2 3.49Å; L76-Y104 VanDerWaalsContact CD1-CE2 3.49Å; L76-Y104 HydrophobicContact CD1-CG 4.48Å; L76-F147 HydrophobicContact CB-CD1 3.94Å; L76-F147 HydrophobicContact CB-CD2 4.41Å; L76-F147 HydrophobicContact CB-CE1 3.73Å; L76-F147 HydrophobicContact CB-CE2 4.22Å; L76-F147 HydrophobicContact CB-CG 4.27Å; L76-F147 HydrophobicContact CB-CZ 3.88Å; L76-F147 HydrophobicContact CD1-CD2 3.84Å; L76-F147 HydrophobicContact CD1-CE2 3.94Å; L76-F147 HydrophobicContact CD1-CG 4.24Å; L76-F147 HydrophobicContact CD1-CZ 4.44Å
77M91.9Very high91Very high45 Ų4560.6 Ų60.622%0.22230%0.296CS..Hα-helixtrans-65-43.6176-72-66.7-62.800111.6V73 S74 Q75 W79 T80 N81 F142 N144 F147V73-M77 HydrophobicContact CG1-CG 4.27Å; V73-M77 WeakPolarHBondContact O-CB 3.28Å; V73-M77 WeakPolarHBondContact O-CG 3.3Å; V73-M77 PolarHBondContact O-N 3.17Å; S74-M77 PolarHBondContact O-N 3.01Å; Q75-M77 VanDerWaalsContact C-N 3.35Å; Q75-M77 PolarHBondContact O-N 3.42Å; M77-W79 VanDerWaalsContact C-N 3.31Å; M77-W79 PolarHBondContact O-N 3.19Å; M77-T80 PolarHBondContact O-N 3.39Å; M77-N81 VanDerWaalsContact O-CG 3.27Å; M77-N81 PolarHBondContact O-N 3.39Å; M77-N81 PolarHBondContact O-ND2 2.98Å; M77-F142 HydrophobicContact CE-CE1 3.69Å; M77-F142 HydrophobicContact CE-CZ 3.98Å; M77-F142 HydrophobicContact SD-CE1 4.38Å; M77-F142 HydrophobicContact SD-CZ 4.16Å; M77-N144 HydrophobicContact CG-CB 4.38Å; M77-N144 HydrophobicContact SD-CB 3.73Å; M77-F147 HydrophobicContact CG-CE1 4.17Å; M77-F147 HydrophobicContact CG-CZ 4.2Å; M77-F147 HydrophobicContact SD-CE1 3.7Å; M77-F147 HydrophobicContact SD-CZ 3.97Å
78E93.3Very high91.4Very high96 Ų9654.9 Ų54.945%0.44927%0.268SS..Hα-helixtrans-60.4-43176.1-165.9-163.5149.700111.3S74 Q75 N81 K82S74-E78 PolarHBondContact O-N 2.95Å; Q75-E78 PolarHBondContact O-N 2.9Å; E78-N81 PolarHBondContact O-N 2.87Å; E78-K82 PolarHBondContact O-N 3.25Å; E78-K82 WeakPolarHBondContact OE1-CE 3.22Å; E78-K82 IonicContact OE1-NZ 3.34Å; E78-K82 PolarHBondContact OE1-NZ 3.1Å
79W92.6Very high91.7Very high71 Ų7155.4 Ų55.427%0.26927%0.268SS..Hα-helixtrans-68.8-39.1177.9-67.1-2.6000112.4Q75 L76 M77 N81 K82 R83 I86 K92 L96Q75-W79 PolarHBondContact O-N 3.49Å; L76-W79 PolarHBondContact O-N 2.75Å; M77-W79 VanDerWaalsContact C-N 3.31Å; M77-W79 PolarHBondContact O-N 3.19Å; W79-N81 VanDerWaalsContact C-N 3.25Å; W79-N81 PolarHBondContact O-N 2.79Å; W79-K82 PolarHBondContact O-N 3.23Å; W79-R83 PolarHBondContact O-N 3.27Å; W79-I86 HydrophobicContact CB-CD1 4.07Å; W79-I86 HydrophobicContact CB-CG1 4.15Å; W79-I86 HydrophobicContact CE3-CG2 3.61Å; W79-I86 HydrophobicContact CZ3-CG2 4.18Å; W79-K92 HydrophobicContact CH2-CD 4.12Å; W79-K92 HydrophobicContact CZ3-CD 4.27Å; W79-L96 HydrophobicContact CE3-CD1 4.34Å; W79-L96 HydrophobicContact CH2-CD1 3.96Å; W79-L96 HydrophobicContact CZ3-CD1 3.42Å; W79-L96 VanDerWaalsContact CZ3-CD1 3.42Å
80T90.8Very high91.8Very high8 Ų854 Ų545%0.04926%0.261CS..Hα-helixtrans-62.7-35.2176-55.50000111.3L76 M77 K82 R83 R137 F142L76-T80 WeakPolarHBondContact O-CB 3.35Å; L76-T80 PolarHBondContact O-N 3.07Å; L76-T80 PolarHBondContact O-OG1 3.36Å; M77-T80 PolarHBondContact O-N 3.39Å; T80-K82 VanDerWaalsContact C-N 3.33Å; T80-R83 CarbonylContact C-O 3.55Å; T80-R83 VanDerWaalsContact CA-O 3.28Å; T80-R83 WeakPolarHBondContact CA-O 3.41Å; T80-R83 CarbonylContact O-C 3.55Å; T80-R137 PolarHBondContact O-NH1 2.93Å; T80-F142 HydrophobicContact CG2-CE2 4.42Å; T80-F142 HydrophobicContact CG2-CZ 4.38Å
81N88.3Confident91.9Very high95 Ų9555.7 Ų55.751%0.50826%0.264SS..Hα-helixtrans-68.7-29.7174-72.8-20000112.7M77 E78 W79 R137M77-N81 VanDerWaalsContact O-CG 3.27Å; M77-N81 PolarHBondContact O-N 3.39Å; M77-N81 PolarHBondContact O-ND2 2.98Å; E78-N81 PolarHBondContact O-N 2.87Å; W79-N81 VanDerWaalsContact C-N 3.25Å; W79-N81 PolarHBondContact O-N 2.79Å; N81-R137 PolarHBondContact O-NH1 3.2Å; N81-R137 PolarHBondContact O-NH2 3.01Å
82K91.2Very high92Very high139 Ų13955.9 Ų55.960%0.60426%0.264SS*.Hα-helixtrans-81.1-41.2174.6-67.7177.2-170.9171.40112.2E78 W79 T80E78-K82 PolarHBondContact O-N 3.25Å; E78-K82 WeakPolarHBondContact OE1-CE 3.22Å; E78-K82 IonicContact OE1-NZ 3.34Å; E78-K82 PolarHBondContact OE1-NZ 3.1Å; W79-K82 PolarHBondContact O-N 3.23Å; T80-K82 VanDerWaalsContact C-N 3.33Å
83R91.8Very high92.2Very high157 Ų15755.3 Ų55.359%0.59226%0.261SS*.  trans-143.9137.5-177.7-61.7-174.1-176.9-165.10.5110.7W79 T80 V85W79-R83 PolarHBondContact O-N 3.27Å; T80-R83 CarbonylContact C-O 3.55Å; T80-R83 VanDerWaalsContact CA-O 3.28Å; T80-R83 WeakPolarHBondContact CA-O 3.41Å; T80-R83 CarbonylContact O-C 3.55Å; R83-V85 VanDerWaalsContact C-N 3.3Å; R83-V85 PolarHBondContact O-N 3.44Å
84P90.1Very high92.2Very high24 Ų2458.6 Ų58.616%0.15627%0.272CS..SBendtrans-64.2-34.9-18029.1-38.1000112.6A133 N134P84-A133 HydrophobicContact CB-CB 3.97Å; P84-N134 VanDerWaalsContact CB-OD1 3.26Å; P84-N134 WeakPolarHBondContact CB-OD1 3.14Å; P84-N134 WeakPolarHBondContact CG-OD1 3.46Å
85V94.6Very high92.1Very high10 Ų1062 Ų626%0.06128%0.275CS..SBendtrans-113.6125.1176.8-176.70000109.4R83 F129 Q130 A133 M150R83-V85 VanDerWaalsContact C-N 3.3Å; R83-V85 PolarHBondContact O-N 3.44Å; V85-F129 HydrophobicContact CG1-CD1 4.07Å; V85-F129 HydrophobicContact CG1-CE1 3.74Å; V85-F129 HydrophobicContact CG2-CD1 3.97Å; V85-F129 HydrophobicContact CG2-CE1 4.12Å; V85-Q130 HydrophobicContact CG2-CG 4.22Å; V85-A133 HydrophobicContact CG2-CB 3.44Å; V85-A133 VanDerWaalsContact CG2-CB 3.44Å; V85-M150 HydrophobicContact CG1-CB 3.84Å; V85-M150 HydrophobicContact CG1-CG 3.71Å; V85-M150 HydrophobicContact CG1-SD 3.97Å
86I94.7Very high92Very high8 Ų860.1 Ų60.14%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-86.6118.4-178.4-58.9173.1000109.8L76 W79 M88 F148 A149 M150L76-I86 HydrophobicContact CD2-CD1 3.7Å; W79-I86 HydrophobicContact CB-CD1 4.07Å; W79-I86 HydrophobicContact CB-CG1 4.15Å; W79-I86 HydrophobicContact CE3-CG2 3.61Å; W79-I86 HydrophobicContact CZ3-CG2 4.18Å; I86-M88 HydrophobicContact CG2-CE 4.1Å; I86-M88 HydrophobicContact CG2-CG 4.14Å; I86-M88 PolarHBondContact O-N 3.02Å; I86-F148 PolarHBondContact N-O 3.46Å; I86-A149 HydrophobicContact CB-CB 4.41Å; I86-A149 CarbonylContact O-C 3.45Å; I86-A149 WeakPolarHBondContact O-CA 3.4Å; I86-M150 PolarHBondContact O-N 2.76Å
87R93.8Very high92Very high112 Ų11260.1 Ų60.142%0.42327%0.266SS..EExtended strand (participates in β ladder)trans-74.9122.3170.6-75.4-168172.9-165.9-0.6111.3M150R87-M150 HydrophobicContact CB-CG 4.41Å; R87-M150 HydrophobicContact CG-CE 4.11Å; R87-M150 HydrophobicContact CG-CG 3.65Å; R87-M150 HydrophobicContact CG-SD 3.54Å; R87-M150 VanDerWaalsContact CG-SD 3.54Å
88M92.8Very high91.9Very high0 Ų061.8 Ų61.80%027%0.272CS..  trans-116.5131.9-178.7-66.8-171.5-18000111.2L76 I86 K92 L96 V97 V106 A149 M150 V151L76-M88 HydrophobicContact CD2-CE 4.35Å; I86-M88 HydrophobicContact CG2-CE 4.1Å; I86-M88 HydrophobicContact CG2-CG 4.14Å; I86-M88 PolarHBondContact O-N 3.02Å; M88-K92 HydrophobicContact CB-CB 4.25Å; M88-K92 HydrophobicContact CG-CB 4.35Å; M88-L96 HydrophobicContact CE-CD1 4.42Å; M88-V97 HydrophobicContact CE-CG2 4.04Å; M88-V97 HydrophobicContact SD-CG2 3.6Å; M88-V106 HydrophobicContact CE-CG1 4.49Å; M88-A149 HydrophobicContact CE-CB 3.47Å; M88-A149 VanDerWaalsContact CE-CB 3.47Å; M88-A149 HydrophobicContact CG-CB 4.13Å; M88-A149 HydrophobicContact SD-CB 3.7Å; M88-M150 PolarHBondContact N-O 2.91Å; M88-V151 HydrophobicContact CB-CG2 3.93Å
89N93.1Very high91.6Very high73 Ų7358.9 Ų58.939%0.3926%0.264SS..  trans-88.6168.2162.9-170.8-29.7000108.5D91 K92 F93 E155N89-D91 VanDerWaalsContact C-N 3.26Å; N89-D91 PolarHBondContact O-N 2.72Å; N89-K92 PolarHBondContact O-N 3.14Å; N89-K92 VanDerWaalsContact O-N 3.09Å; N89-F93 WeakPolarHBondContact O-CB 3.43Å; N89-F93 PolarHBondContact O-N 3.47Å; N89-E155 VanDerWaalsContact CG-O 3.22Å; N89-E155 PolarHBondContact OD1-O 2.83Å
90G90.9Very high91.3Very high0 Ų060.6 Ų60.60%029%0.285CS..Hα-helixtrans-50.8-39.4178.800000114.6F93 R94G90-F93 PolarHBondContact O-N 3.02Å; G90-R94 WeakPolarHBondContact O-CB 3.45Å; G90-R94 WeakPolarHBondContact O-CG 3.43Å; G90-R94 PolarHBondContact O-N 2.64Å
91D91.8Very high91.1Very high106 Ų10662 Ų6257%0.56729%0.294SS*.Hα-helixtrans-69-43.5177.1-67.1-35.4000113N89 F93 R94 R95N89-D91 VanDerWaalsContact C-N 3.26Å; N89-D91 PolarHBondContact O-N 2.72Å; D91-F93 VanDerWaalsContact C-N 3.31Å; D91-F93 PolarHBondContact O-N 3.47Å; D91-R94 PolarHBondContact O-N 2.91Å; D91-R94 IonicContact OD1-CZ 3.29Å; D91-R94 IonicContact OD1-NE 2.64Å; D91-R94 IonicContact OD1-NH2 3.02Å; D91-R94 PolarHBondContact OD1-NH2 3.47Å; D91-R95 WeakPolarHBondContact O-CB 3.49Å; D91-R95 PolarHBondContact O-N 2.96Å
92K92.8Very high91.1Very high92 Ų9259.4 Ų59.440%0.428%0.277SS..Hα-helixtrans-62.9-42.4176.1-67.9-176.7-177.4176.60110.3W79 M88 N89 R95 L96W79-K92 HydrophobicContact CH2-CD 4.12Å; W79-K92 HydrophobicContact CZ3-CD 4.27Å; M88-K92 HydrophobicContact CB-CB 4.25Å; M88-K92 HydrophobicContact CG-CB 4.35Å; N89-K92 PolarHBondContact O-N 3.14Å; N89-K92 VanDerWaalsContact O-N 3.09Å; K92-R95 PolarHBondContact O-N 2.91Å; K92-L96 WeakPolarHBondContact O-CB 3.38Å; K92-L96 PolarHBondContact O-N 3.35Å
93F93.6Very high91Very high0 Ų056.6 Ų56.60%027%0.269CS..Iπ-helixtrans-61.4-46.3176.5-177.9-93.1000111.6N89 G90 D91 R95 V97 K98 V108 F110 V151 V159 L163 F174N89-F93 WeakPolarHBondContact O-CB 3.43Å; N89-F93 PolarHBondContact O-N 3.47Å; G90-F93 PolarHBondContact O-N 3.02Å; D91-F93 VanDerWaalsContact C-N 3.31Å; D91-F93 PolarHBondContact O-N 3.47Å; F93-R95 PolarHBondContact O-N 3.33Å; F93-V97 HydrophobicContact CD2-CB 3.85Å; F93-V97 HydrophobicContact CD2-CG1 4.23Å; F93-V97 HydrophobicContact CD2-CG2 3.76Å; F93-V97 HydrophobicContact CE2-CB 3.85Å; F93-V97 HydrophobicContact CE2-CG1 3.71Å; F93-V97 HydrophobicContact CE2-CG2 4.06Å; F93-V97 HydrophobicContact CG-CB 4.28Å; F93-V97 HydrophobicContact CG-CG2 4.43Å; F93-V97 HydrophobicContact CZ-CB 4.28Å; F93-V97 HydrophobicContact CZ-CG1 3.99Å; F93-V97 WeakPolarHBondContact O-CA 3.43Å; F93-V97 VanDerWaalsContact O-CB 3.25Å; F93-V97 WeakPolarHBondContact O-CB 3.49Å; F93-V97 PolarHBondContact O-N 3.32Å; F93-K98 HydrophobicContact CD1-CG 4.39Å; F93-K98 HydrophobicContact CE1-CD 4.25Å; F93-K98 HydrophobicContact CE1-CG 3.85Å; F93-K98 PolarHBondContact O-N 2.88Å; F93-V108 HydrophobicContact CE2-CG1 4.25Å; F93-V108 HydrophobicContact CE2-CG2 4.16Å; F93-F110 HydrophobicContact CE2-CE1 4.28Å; F93-F110 AromaticContact CE2-CZ 3.94Å; F93-F110 HydrophobicContact CE2-CZ 3.94Å; F93-F110 HydrophobicContact CZ-CZ 4.15Å; F93-V151 HydrophobicContact CD2-CG2 3.98Å; F93-V159 HydrophobicContact CB-CG2 4.12Å; F93-V159 HydrophobicContact CD1-CB 4.4Å; F93-V159 HydrophobicContact CD1-CG1 3.59Å; F93-V159 HydrophobicContact CD1-CG2 3.82Å; F93-V159 HydrophobicContact CD2-CG1 4.31Å; F93-V159 HydrophobicContact CE1-CG1 3.49Å; F93-V159 VanDerWaalsContact CE1-CG1 3.49Å; F93-V159 HydrophobicContact CE2-CG1 4.23Å; F93-V159 HydrophobicContact CG-CG1 4.01Å; F93-V159 HydrophobicContact CG-CG2 4.07Å; F93-V159 HydrophobicContact CZ-CG1 3.84Å; F93-L163 HydrophobicContact CZ-CD1 4.21Å; F93-F174 HydrophobicContact CE2-CE2 4.04Å; F93-F174 HydrophobicContact CE2-CZ 4.17Å; F93-F174 HydrophobicContact CZ-CE1 4.18Å; F93-F174 HydrophobicContact CZ-CE2 4.03Å; F93-F174 AromaticContact CZ-CZ 3.68Å; F93-F174 HydrophobicContact CZ-CZ 3.68Å
94R91.6Very high91Very high84 Ų8449.2 Ų49.232%0.31724%0.241SC..Iπ-helixtrans-59.9-46.1175.2-79.6-175-76.9-83.82.7112.2G90 D91 K98 A99 D158G90-R94 WeakPolarHBondContact O-CB 3.45Å; G90-R94 WeakPolarHBondContact O-CG 3.43Å; G90-R94 PolarHBondContact O-N 2.64Å; D91-R94 PolarHBondContact O-N 2.91Å; D91-R94 IonicContact OD1-CZ 3.29Å; D91-R94 IonicContact OD1-NE 2.64Å; D91-R94 IonicContact OD1-NH2 3.02Å; D91-R94 PolarHBondContact OD1-NH2 3.47Å; R94-K98 PolarHBondContact O-N 3.05Å; R94-A99 VanDerWaalsContact O-CB 3.26Å; R94-A99 WeakPolarHBondContact O-CB 3.47Å; R94-A99 PolarHBondContact O-N 2.98Å; R94-D158 IonicContact CZ-OD2 3.5Å; R94-D158 VanDerWaalsContact CZ-OD2 3.29Å; R94-D158 IonicContact NH1-OD2 2.79Å; R94-D158 PolarHBondContact NH1-OD2 3.22Å; R94-D158 IonicContact NH2-OD2 3.37Å; R94-D158 PolarHBondContact NH2-OD2 2.99Å
95R91.3Very high91.2Very high139 Ų13949 Ų4953%0.52524%0.24SC..Iπ-helixtrans-71.2-41.5-175.7-176.7176.7175176.9-1.9113.7K72 D91 K92 F93K72-R95 WeakPolarHBondContact CE-O 3.25Å; K72-R95 PolarHBondContact NZ-O 2.9Å; D91-R95 WeakPolarHBondContact O-CB 3.49Å; D91-R95 PolarHBondContact O-N 2.96Å; K92-R95 PolarHBondContact O-N 2.91Å; F93-R95 PolarHBondContact O-N 3.33Å
96L90.4Very high91.2Very high3 Ų348.6 Ų48.62%0.01624%0.237CC..Iπ-helixtrans-99.9-37.5-171.1-61.4170.1000112.4K72 L76 W79 M88 K92 Y104K72-L96 HydrophobicContact CB-CD2 4.32Å; K72-L96 HydrophobicContact CG-CD2 4.14Å; L76-L96 HydrophobicContact CD2-CD1 4.06Å; W79-L96 HydrophobicContact CE3-CD1 4.34Å; W79-L96 HydrophobicContact CH2-CD1 3.96Å; W79-L96 HydrophobicContact CZ3-CD1 3.42Å; W79-L96 VanDerWaalsContact CZ3-CD1 3.42Å; M88-L96 HydrophobicContact CE-CD1 4.42Å; K92-L96 WeakPolarHBondContact O-CB 3.38Å; K92-L96 PolarHBondContact O-N 3.35Å; L96-Y104 PolarHBondContact O-OH 3.46Å; L96-Y104 VanDerWaalsContact O-OH 3.12Å
97V91.1Very high91.2Very high0 Ų048.2 Ų48.20%024%0.235CC..Iπ-helixtrans-94.9-45.8-176.7-172.60000111.6M88 F93 R102 V106 V108 F174M88-V97 HydrophobicContact CE-CG2 4.04Å; M88-V97 HydrophobicContact SD-CG2 3.6Å; F93-V97 HydrophobicContact CD2-CB 3.85Å; F93-V97 HydrophobicContact CD2-CG1 4.23Å; F93-V97 HydrophobicContact CD2-CG2 3.76Å; F93-V97 HydrophobicContact CE2-CB 3.85Å; F93-V97 HydrophobicContact CE2-CG1 3.71Å; F93-V97 HydrophobicContact CE2-CG2 4.06Å; F93-V97 HydrophobicContact CG-CB 4.28Å; F93-V97 HydrophobicContact CG-CG2 4.43Å; F93-V97 HydrophobicContact CZ-CB 4.28Å; F93-V97 HydrophobicContact CZ-CG1 3.99Å; F93-V97 WeakPolarHBondContact O-CA 3.43Å; F93-V97 VanDerWaalsContact O-CB 3.25Å; F93-V97 WeakPolarHBondContact O-CB 3.49Å; F93-V97 PolarHBondContact O-N 3.32Å; V97-R102 WeakPolarHBondContact O-CD 3.33Å; V97-R102 PolarHBondContact O-NE 3.43Å; V97-R102 PolarHBondContact O-NH1 2.81Å; V97-V106 HydrophobicContact CG2-CB 4.4Å; V97-V106 HydrophobicContact CG2-CG1 4.11Å; V97-V106 HydrophobicContact CG2-CG2 4.46Å; V97-V108 HydrophobicContact CG1-CG2 4.39Å; V97-V108 HydrophobicContact CG2-CG2 4.38Å; V97-F174 HydrophobicContact CG1-CB 3.73Å; V97-F174 HydrophobicContact CG1-CD1 3.84Å; V97-F174 HydrophobicContact CG1-CD2 3.64Å; V97-F174 HydrophobicContact CG1-CE1 4.4Å; V97-F174 HydrophobicContact CG1-CE2 4.2Å; V97-F174 HydrophobicContact CG1-CG 3.43Å; V97-F174 VanDerWaalsContact CG1-CG 3.43Å
98K88.6Confident91.3Very high81 Ų8142.9 Ų42.935%0.35222%0.215SC..Iπ-helixtrans-88.5-40.3-177.6-75.8-154.4171.6-169.90115F93 R94 R102 M162F93-K98 HydrophobicContact CD1-CG 4.39Å; F93-K98 HydrophobicContact CE1-CD 4.25Å; F93-K98 HydrophobicContact CE1-CG 3.85Å; F93-K98 PolarHBondContact O-N 2.88Å; R94-K98 PolarHBondContact O-N 3.05Å; K98-R102 PolarHBondContact O-NH1 3.3Å; K98-M162 HydrophobicContact CD-SD 3.82Å; K98-M162 VanDerWaalsContact CE-SD 3.56Å; K98-M162 PolarHBondContact NZ-SD 3.47Å
99A88.6Confident91.4Very high34 Ų3442.9 Ų42.928%0.28122%0.215SC..SBendtrans-75.5128.6-171.700000112.3K72 R94K72-A99 PolarHBondContact NZ-O 3.12Å; R94-A99 VanDerWaalsContact O-CB 3.26Å; R94-A99 WeakPolarHBondContact O-CB 3.47Å; R94-A99 PolarHBondContact O-N 2.98Å
100P84.8Confident91.5Very high107 Ų10739.4 Ų39.470%0.69520%0.197SC*.SBendtrans-66.5163.8169.130.7-34.4000110.6K72K72-P100 PolarHBondContact NZ-O 3.47Å
101P88.1Confident91.7Very high37 Ų3739.4 Ų39.424%0.2420%0.197CC..PPolyproline II helixcis-79.4152.5-8.132.4-34.2000112.7K65 L69K65-P101 WeakPolarHBondContact O-CG 3.45Å; L69-P101 HydrophobicContact CB-CG 3.97Å; L69-P101 HydrophobicContact CD1-CB 4.39Å; L69-P101 HydrophobicContact CD1-CG 4.42Å; L69-P101 WeakPolarHBondContact CD1-O 3.4Å
102R87.6Confident91.9Very high42 Ų4234.9 Ų34.916%0.15817%0.174CC..  trans-139.8138.1174.8-56.4-169.8-52.9-101.9-0.4110.9V97 K98 P175 G178V97-R102 WeakPolarHBondContact O-CD 3.33Å; V97-R102 PolarHBondContact O-NE 3.43Å; V97-R102 PolarHBondContact O-NH1 2.81Å; K98-R102 PolarHBondContact O-NH1 3.3Å; R102-P175 PolarHBondContact NH2-O 3.06Å; R102-G178 PolarHBondContact NH2-O 3.07Å
103N90.1Very high91.8Very high80 Ų8032.9 Ų32.943%0.42817%0.167SC..  trans-122.51017166.7-20.5000112.2L69 V73L69-N103 HydrophobicContact CD1-CB 4.42Å; L69-N103 HydrophobicContact CD2-CB 4.08Å; V73-N103 WeakPolarHBondContact CG2-OD1 3.36Å
104Y91.8Very high91.5Very high1 Ų138.3 Ų38.30%0.00419%0.193CC..SBendtrans-125.9152-178.952.6-97.6000110.4L69 V73 L76 L96 V106 R145 F147 A176L69-Y104 HydrophobicContact CD1-CE1 4.44Å; V73-Y104 HydrophobicContact CG2-CD1 3.66Å; V73-Y104 HydrophobicContact CG2-CE1 3.75Å; L76-Y104 HydrophobicContact CD1-CD1 4.37Å; L76-Y104 HydrophobicContact CD1-CD2 4.06Å; L76-Y104 HydrophobicContact CD1-CE1 3.84Å; L76-Y104 HydrophobicContact CD1-CE2 3.49Å; L76-Y104 VanDerWaalsContact CD1-CE2 3.49Å; L76-Y104 HydrophobicContact CD1-CG 4.48Å; L96-Y104 PolarHBondContact O-OH 3.46Å; L96-Y104 VanDerWaalsContact O-OH 3.12Å; Y104-V106 HydrophobicContact CD2-CG2 3.51Å; Y104-V106 HydrophobicContact CE2-CG2 3.57Å; Y104-R145 CarbonylContact C-O 3.5Å; Y104-R145 VanDerWaalsContact CA-O 3.29Å; Y104-R145 WeakPolarHBondContact CA-O 3.35Å; Y104-R145 WeakPolarHBondContact CB-O 3.44Å; Y104-F147 HydrophobicContact CD1-CE2 4.04Å; Y104-F147 AromaticContact CD2-CD2 3.73Å; Y104-F147 HydrophobicContact CD2-CD2 3.73Å; Y104-F147 HydrophobicContact CD2-CE2 4.08Å; Y104-F147 HydrophobicContact CE2-CD2 4.49Å; Y104-F147 AromaticContact CG-CD2 3.75Å; Y104-F147 HydrophobicContact CG-CD2 3.75Å; Y104-F147 AromaticContact CG-CE2 3.63Å; Y104-F147 HydrophobicContact CG-CE2 3.63Å; Y104-A176 VanDerWaalsContact O-CA 3.28Å; Y104-A176 WeakPolarHBondContact O-CA 3.46Å
105S92.7Very high91.1Very high20 Ų2041.8 Ų41.814%0.1422%0.217CC..EExtended strand (participates in β ladder)trans-93.3141.1168.7-61.70000109.5R145 I146 F147 F174S105-R145 PolarHBondContact N-O 3.43Å; S105-I146 WeakPolarHBondContact O-CA 3.37Å; S105-F147 PolarHBondContact O-N 2.94Å; S105-F174 VanDerWaalsContact CA-O 3.28Å; S105-F174 WeakPolarHBondContact CA-O 3.06Å
106V94.4Very high90.7Very high1 Ų143.2 Ų43.21%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-119.6121.9177-170.60000108.8M88 V97 Y104 V108 F147 A149 F174M88-V106 HydrophobicContact CE-CG1 4.49Å; V97-V106 HydrophobicContact CG2-CB 4.4Å; V97-V106 HydrophobicContact CG2-CG1 4.11Å; V97-V106 HydrophobicContact CG2-CG2 4.46Å; Y104-V106 HydrophobicContact CD2-CG2 3.51Å; Y104-V106 HydrophobicContact CE2-CG2 3.57Å; V106-V108 HydrophobicContact CB-CG2 4.41Å; V106-V108 HydrophobicContact CG1-CG2 3.75Å; V106-F147 WeakPolarHBondContact CA-O 3.45Å; V106-A149 HydrophobicContact CG1-CB 3.96Å; V106-F174 PolarHBondContact N-O 2.96Å; V106-F174 PolarHBondContact O-N 3.22Å
107I95.4Very high90.4Very high0 Ų048.6 Ų48.60%025%0.249CC..EExtended strand (participates in β ladder)trans-92117.6171.9-60.986.6000107F129 I146 F147 F148 A149 W201 I202I107-F129 HydrophobicContact CG2-CE2 3.91Å; I107-F129 HydrophobicContact CG2-CZ 4.19Å; I107-I146 HydrophobicContact CD1-CG2 3.35Å; I107-F147 PolarHBondContact N-O 3.29Å; I107-F148 HydrophobicContact CB-CD1 4.05Å; I107-F148 HydrophobicContact CB-CE1 4.14Å; I107-F148 HydrophobicContact CD1-CE1 4.34Å; I107-F148 HydrophobicContact CG1-CE1 4.42Å; I107-F148 HydrophobicContact CG2-CD1 4.37Å; I107-F148 HydrophobicContact CG2-CE1 4.38Å; I107-A149 PolarHBondContact O-N 3.03Å; I107-W201 HydrophobicContact CG2-CH2 4.41Å; I107-W201 HydrophobicContact CG2-CZ3 4.04Å; I107-I202 HydrophobicContact CD1-CD1 4.34Å; I107-I202 HydrophobicContact CD1-CG2 4.38Å; I107-I202 HydrophobicContact CG1-CD1 3.92Å; I107-I202 HydrophobicContact CG1-CG1 4.03Å; I107-I202 HydrophobicContact CG2-CD1 4.29Å
108V95.5Very high90Very high0 Ų055.6 Ų55.60%028%0.282CS..EExtended strand (participates in β ladder)trans-112.7124.6-176-173.40000109.3F93 V97 V106 F110 A149 V151 F171 I172 F174F93-V108 HydrophobicContact CE2-CG1 4.25Å; F93-V108 HydrophobicContact CE2-CG2 4.16Å; V97-V108 HydrophobicContact CG1-CG2 4.39Å; V97-V108 HydrophobicContact CG2-CG2 4.38Å; V106-V108 HydrophobicContact CB-CG2 4.41Å; V106-V108 HydrophobicContact CG1-CG2 3.75Å; V108-F110 HydrophobicContact CB-CE2 4.12Å; V108-F110 HydrophobicContact CB-CZ 4.19Å; V108-F110 HydrophobicContact CG1-CD1 4.44Å; V108-F110 HydrophobicContact CG1-CD2 4.4Å; V108-F110 HydrophobicContact CG1-CE1 3.95Å; V108-F110 HydrophobicContact CG1-CE2 3.9Å; V108-F110 HydrophobicContact CG1-CZ 3.66Å; V108-A149 CarbonylContact C-O 3.53Å; V108-A149 WeakPolarHBondContact CA-O 3.38Å; V108-A149 HydrophobicContact CG2-CB 4.31Å; V108-V151 HydrophobicContact CG1-CG2 3.85Å; V108-F171 WeakPolarHBondContact O-CA 3.35Å; V108-I172 PolarHBondContact N-O 3.44Å; V108-I172 PolarHBondContact O-N 3.34Å; V108-F174 HydrophobicContact CB-CD2 4.25Å; V108-F174 HydrophobicContact CB-CE2 4.04Å; V108-F174 HydrophobicContact CG2-CD2 3.66Å; V108-F174 HydrophobicContact CG2-CE2 3.85Å
109M96Very high89.8Confident0 Ų053.5 Ų53.50%028%0.277CS..EExtended strand (participates in β ladder)trans-92.6118.7166.4-176.8-176.567.700109.6T111 D126 F129 A149 M150 V151 F171M109-T111 HydrophobicContact CE-CG2 3.85Å; M109-D126 HydrophobicContact CE-CB 4.02Å; M109-D126 VanDerWaalsContact CE-OD1 3.25Å; M109-D126 WeakPolarHBondContact CE-OD1 3.34Å; M109-F129 HydrophobicContact CB-CD1 3.89Å; M109-F129 HydrophobicContact CB-CE1 3.7Å; M109-F129 HydrophobicContact CB-CE2 4.39Å; M109-F129 HydrophobicContact CB-CG 4.31Å; M109-F129 HydrophobicContact CB-CZ 3.96Å; M109-F129 HydrophobicContact CE-CD1 4.09Å; M109-F129 HydrophobicContact SD-CB 3.93Å; M109-F129 HydrophobicContact SD-CD1 4.01Å; M109-F129 HydrophobicContact SD-CG 4.04Å; M109-A149 PolarHBondContact N-O 3.24Å; M109-M150 HydrophobicContact CB-CB 4.45Å; M109-M150 HydrophobicContact CE-CB 3.96Å; M109-M150 CarbonylContact O-C 3.55Å; M109-M150 VanDerWaalsContact O-CA 3.24Å; M109-M150 WeakPolarHBondContact O-CA 3.44Å; M109-V151 PolarHBondContact O-N 3.34Å; M109-F171 HydrophobicContact CB-CD1 3.75Å; M109-F171 HydrophobicContact CB-CE1 3.72Å; M109-F171 HydrophobicContact CG-CD1 3.78Å; M109-F171 HydrophobicContact CG-CE1 3.39Å; M109-F171 HydrophobicContact CG-CZ 4.05Å; M109-F171 HydrophobicContact SD-CE1 3.61Å; M109-F171 HydrophobicContact SD-CZ 4Å
110F95.3Very high89.7Confident0 Ų055.4 Ų55.40%029%0.285CS..EExtended strand (participates in β ladder)trans-89.5120.9169-63.6-77.1000108.4F93 V108 V151 V159 F160 L163 M165 P169 T170 I172 F174F93-F110 HydrophobicContact CE2-CE1 4.28Å; F93-F110 AromaticContact CE2-CZ 3.94Å; F93-F110 HydrophobicContact CE2-CZ 3.94Å; F93-F110 HydrophobicContact CZ-CZ 4.15Å; V108-F110 HydrophobicContact CB-CE2 4.12Å; V108-F110 HydrophobicContact CB-CZ 4.19Å; V108-F110 HydrophobicContact CG1-CD1 4.44Å; V108-F110 HydrophobicContact CG1-CD2 4.4Å; V108-F110 HydrophobicContact CG1-CE1 3.95Å; V108-F110 HydrophobicContact CG1-CE2 3.9Å; V108-F110 HydrophobicContact CG1-CZ 3.66Å; F110-V151 HydrophobicContact CD1-CB 3.94Å; F110-V151 HydrophobicContact CD1-CG1 4.43Å; F110-V151 HydrophobicContact CD1-CG2 4.49Å; F110-V151 HydrophobicContact CE1-CB 4.08Å; F110-V151 HydrophobicContact CE1-CG2 4.16Å; F110-V159 HydrophobicContact CE1-CG1 3.71Å; F110-V159 HydrophobicContact CZ-CG1 4.39Å; F110-F160 HydrophobicContact CB-CE1 3.9Å; F110-F160 HydrophobicContact CB-CE2 4.48Å; F110-F160 HydrophobicContact CB-CZ 3.71Å; F110-F160 HydrophobicContact CD1-CE2 4.09Å; F110-F160 HydrophobicContact CD1-CZ 4.13Å; F110-F160 HydrophobicContact CG-CZ 4.41Å; F110-L163 HydrophobicContact CE1-CD1 3.79Å; F110-L163 HydrophobicContact CE2-CD1 3.97Å; F110-L163 HydrophobicContact CZ-CD1 3.32Å; F110-M165 HydrophobicContact CB-CE 3.99Å; F110-M165 HydrophobicContact CB-SD 4.36Å; F110-M165 HydrophobicContact CD1-CE 3.37Å; F110-M165 HydrophobicContact CD1-SD 4.47Å; F110-M165 HydrophobicContact CD2-CE 3.74Å; F110-M165 HydrophobicContact CD2-SD 3.79Å; F110-M165 HydrophobicContact CE1-CE 3.71Å; F110-M165 HydrophobicContact CE2-CE 4.05Å; F110-M165 HydrophobicContact CE2-SD 4.21Å; F110-M165 HydrophobicContact CG-CE 3.39Å; F110-M165 HydrophobicContact CG-SD 3.93Å; F110-M165 HydrophobicContact CZ-CE 4.03Å; F110-P169 CarbonylContact O-C 3.1Å; F110-P169 WeakPolarHBondContact O-CA 3.46Å; F110-T170 PolarHBondContact N-O 2.92Å; F110-T170 PolarHBondContact O-N 3.42Å; F110-I172 HydrophobicContact CD2-CD1 4.18Å; F110-I172 HydrophobicContact CD2-CG1 4.2Å; F110-I172 HydrophobicContact CE2-CB 4.05Å; F110-I172 HydrophobicContact CE2-CD1 3.73Å; F110-I172 HydrophobicContact CE2-CG1 3.89Å; F110-F174 HydrophobicContact CE2-CE2 4.22Å; F110-F174 HydrophobicContact CZ-CE2 4.14Å; F110-F174 HydrophobicContact CZ-CZ 4.3Å
111T95.4Very high89.8Confident0 Ų053.4 Ų53.40%027%0.271CS..EExtended strand (participates in β ladder)trans-140.1171.9-172-164.30000112M109 L113 C122 M150 V151 D152 F153M109-T111 HydrophobicContact CE-CG2 3.85Å; T111-L113 HydrophobicContact CG2-CD1 3.87Å; T111-L113 HydrophobicContact CG2-CG 3.86Å; T111-C122 WeakPolarHBondContact OG1-CB 3.41Å; T111-M150 HydrophobicContact CG2-CE 4.03Å; T111-V151 PolarHBondContact N-O 3.15Å; T111-D152 CarbonylContact O-C 3.51Å; T111-D152 WeakPolarHBondContact O-CA 3.4Å; T111-F153 PolarHBondContact O-N 2.98Å
112A94.1Very high90Very high11 Ų1151.6 Ų51.69%0.09126%0.259CS..  trans-141.384.2173.300000108.5R117 C119 F153 A168A112-R117 HydrophobicContact CB-CB 4.47Å; A112-R117 HydrophobicContact CB-CG 4.38Å; A112-C119 WeakPolarHBondContact O-CB 3.47Å; A112-F153 HydrophobicContact CB-CB 4.2Å; A112-A168 HydrophobicContact CB-CB 4.31Å
113L90.6Very high90.1Very high50 Ų5055.8 Ų55.826%0.26228%0.279SS..  trans-89.5-9.2-173.2-71.8169.1000113.4T111 L115 C122 K123 D126 M150 D152T111-L113 HydrophobicContact CG2-CD1 3.87Å; T111-L113 HydrophobicContact CG2-CG 3.86Å; L113-L115 PolarHBondContact O-N 2.91Å; L113-C122 HydrophobicContact CD2-CB 4.35Å; L113-K123 HydrophobicContact CD2-CB 4.47Å; L113-D126 HydrophobicContact CD1-CB 4.23Å; L113-D126 HydrophobicContact CD2-CB 3.99Å; L113-M150 HydrophobicContact CD1-CE 3.57Å; L113-D152 PolarHBondContact N-OD2 3.02Å
114Q88.5Confident90.1Very high115 Ų11555 Ų5554%0.53727%0.272SS..  trans-63.6136.2-177.2-165.565.6-13.600111.9H116 R117 D154Q114-H116 PolarHBondContact O-N 2.91Å; Q114-H116 VanDerWaalsContact O-N 3.09Å; Q114-R117 HydrophobicContact CB-CG 4.38Å; Q114-R117 WeakPolarHBondContact O-CB 3.43Å; Q114-R117 PolarHBondContact O-N 3.45Å; Q114-D154 WeakPolarHBondContact CB-OD2 3.29Å
115L82.7Confident90.1Very high156 Ų15655 Ų5582%0.81727%0.272SS*.G310 helixtrans-56.9-32.9-172.3-170.368.2000113.3L113 R117 Q118L113-L115 PolarHBondContact O-N 2.91Å; L115-R117 PolarHBondContact O-N 2.9Å; L115-Q118 WeakPolarHBondContact O-CG 3.33Å; L115-Q118 PolarHBondContact O-N 3.17Å
116H84.1Confident90.2Very high169 Ų16954.8 Ų54.878%0.78227%0.269SS*.G310 helixtrans-65-25.5178.1-175.566.9000113.3Q114Q114-H116 PolarHBondContact O-N 2.91Å; Q114-H116 VanDerWaalsContact O-N 3.09Å
117R83.4Confident90.1Very high117 Ų11759.5 Ų59.544%0.44229%0.291SS..G310 helixtrans-82.2-18.3-179.8-59.7-75.6-178.5-161.8-4113.2A112 Q114 L115 C119 D154A112-R117 HydrophobicContact CB-CB 4.47Å; A112-R117 HydrophobicContact CB-CG 4.38Å; Q114-R117 HydrophobicContact CB-CG 4.38Å; Q114-R117 WeakPolarHBondContact O-CB 3.43Å; Q114-R117 PolarHBondContact O-N 3.45Å; L115-R117 PolarHBondContact O-N 2.9Å; R117-C119 PolarHBondContact O-N 2.98Å; R117-C119 VanDerWaalsContact O-N 3.07Å; R117-D154 IonicContact CZ-OD1 3.55Å; R117-D154 IonicContact NE-OD1 2.86Å; R117-D154 PolarHBondContact NE-OD1 3.31Å; R117-D154 IonicContact NE-OD2 3.62Å; R117-D154 IonicContact NH2-OD1 2.72Å; R117-D154 PolarHBondContact NH2-OD1 3.39Å
118Q81.8Confident89.9Confident146 Ų14660.9 Ų60.968%0.68230%0.298SS*.  trans49.133179.3-59.9-171.8-33.100115L115 V120L115-Q118 WeakPolarHBondContact O-CG 3.33Å; L115-Q118 PolarHBondContact O-N 3.17Å; Q118-V120 PolarHBondContact O-N 3.36Å; Q118-V120 VanDerWaalsContact O-N 3.13Å
119C85.9Confident89.9Confident38 Ų3860.9 Ų60.926%0.25730%0.298SS..  trans-80.194.8-179.1-174.30000112A112 R117 C122 K123A112-C119 WeakPolarHBondContact O-CB 3.47Å; R117-C119 PolarHBondContact O-N 2.98Å; R117-C119 VanDerWaalsContact O-N 3.07Å; C119-C122 HydrophobicContact CB-CB 3.6Å; C119-C122 WeakPolarHBondContact CB-SG 3.24Å; C119-C122 WeakPolarHBondContact O-CB 3.36Å; C119-C122 PolarHBondContact O-N 3.31Å; C119-C122 WeakPolarHBondContact SG-CB 3.14Å; C119-C122 PolarHBondContact SG-N 3.07Å; C119-C122 CovalentContact SG-SG 2.04Å; C119-C122 PolarHBondContact SG-SG 2.75Å; C119-K123 PolarHBondContact O-N 2.64Å
120V85.4Confident89.8Confident73 Ų7364.8 Ų64.844%0.44232%0.316SS..Hα-helixtrans-64.4-41.7179.3-178.20000111.9Q118 C122 K123 Q124Q118-V120 PolarHBondContact O-N 3.36Å; Q118-V120 VanDerWaalsContact O-N 3.13Å; V120-C122 VanDerWaalsContact C-N 3.29Å; V120-C122 PolarHBondContact O-N 3.27Å; V120-K123 PolarHBondContact O-N 2.89Å; V120-Q124 PolarHBondContact O-N 2.98Å
121V88.1Confident89.7Confident65 Ų6566.2 Ų66.239%0.39432%0.324SS..Hα-helixtrans-63.8-37.4179.9-175.70000111.2K123 Q124 A125 P169V121-K123 VanDerWaalsContact C-N 3.32Å; V121-K123 PolarHBondContact O-N 3.44Å; V121-Q124 PolarHBondContact O-N 3.33Å; V121-A125 VanDerWaalsContact O-CB 3.23Å; V121-A125 WeakPolarHBondContact O-CB 3.29Å; V121-A125 PolarHBondContact O-N 2.89Å; V121-P169 HydrophobicContact CG1-CG 4.04Å
122C91.6Very high89.6Confident0 Ų066.2 Ų66.20%032%0.324CS..Hα-helixtrans-62-40177.4-59.80000111.9T111 L113 C119 V120 D126T111-C122 WeakPolarHBondContact OG1-CB 3.41Å; L113-C122 HydrophobicContact CD2-CB 4.35Å; C119-C122 HydrophobicContact CB-CB 3.6Å; C119-C122 WeakPolarHBondContact CB-SG 3.24Å; C119-C122 WeakPolarHBondContact O-CB 3.36Å; C119-C122 PolarHBondContact O-N 3.31Å; C119-C122 WeakPolarHBondContact SG-CB 3.14Å; C119-C122 PolarHBondContact SG-N 3.07Å; C119-C122 CovalentContact SG-SG 2.04Å; C119-C122 PolarHBondContact SG-SG 2.75Å; V120-C122 VanDerWaalsContact C-N 3.29Å; V120-C122 PolarHBondContact O-N 3.27Å; C122-D126 WeakPolarHBondContact O-CB 3.47Å; C122-D126 PolarHBondContact O-N 3.17Å
123K90.1Very high89.6Confident130 Ų13065.8 Ų65.857%0.56532%0.32SS*.Hα-helixtrans-66.6-47.1178.1-173.8-177.3174.4-172.90111.6L113 C119 V120 V121 A125 D126 E127L113-K123 HydrophobicContact CD2-CB 4.47Å; C119-K123 PolarHBondContact O-N 2.64Å; V120-K123 PolarHBondContact O-N 2.89Å; V121-K123 VanDerWaalsContact C-N 3.32Å; V121-K123 PolarHBondContact O-N 3.44Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 2.93Å; K123-D126 PolarHBondContact O-N 2.98Å; K123-E127 WeakPolarHBondContact CE-OE1 3.42Å; K123-E127 WeakPolarHBondContact O-CG 3.29Å; K123-E127 PolarHBondContact O-N 2.91Å; K123-E127 VanDerWaalsContact O-N 3.11Å
124Q89Confident89.7Confident64 Ų6466 Ų6630%0.29932%0.321SS..Hα-helixtrans-64.1-40.2178.1-68.4178.2-13.800111.9V120 V121 E127 E128 F193V120-Q124 PolarHBondContact O-N 2.98Å; V121-Q124 PolarHBondContact O-N 3.33Å; Q124-E127 PolarHBondContact O-N 2.92Å; Q124-E128 PolarHBondContact O-N 2.85Å; Q124-F193 HydrophobicContact CB-CE2 3.91Å; Q124-F193 HydrophobicContact CB-CZ 4.26Å
125A92.6Very high89.8Confident0 Ų060.7 Ų60.70%030%0.297CS..Hα-helixtrans-66.1-37.7176.200000112.4V121 K123 E128 F129 P169 F171 F193V121-A125 VanDerWaalsContact O-CB 3.23Å; V121-A125 WeakPolarHBondContact O-CB 3.29Å; V121-A125 PolarHBondContact O-N 2.89Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 2.93Å; A125-E128 PolarHBondContact O-N 3.24Å; A125-F129 VanDerWaalsContact O-CB 3.25Å; A125-F129 WeakPolarHBondContact O-CB 3.5Å; A125-F129 PolarHBondContact O-N 3.37Å; A125-P169 HydrophobicContact CB-CB 4.18Å; A125-P169 HydrophobicContact CB-CG 3.72Å; A125-F171 HydrophobicContact CB-CZ 4.11Å; A125-F193 HydrophobicContact CB-CB 4.34Å
126D93.8Very high90.3Very high15 Ų1553.4 Ų53.48%0.0826%0.259CS..Hα-helixtrans-63.3-43.1175.1-17774000111.7M109 L113 C122 K123 E128 F129 Q130M109-D126 HydrophobicContact CE-CB 4.02Å; M109-D126 VanDerWaalsContact CE-OD1 3.25Å; M109-D126 WeakPolarHBondContact CE-OD1 3.34Å; L113-D126 HydrophobicContact CD1-CB 4.23Å; L113-D126 HydrophobicContact CD2-CB 3.99Å; C122-D126 WeakPolarHBondContact O-CB 3.47Å; C122-D126 PolarHBondContact O-N 3.17Å; K123-D126 PolarHBondContact O-N 2.98Å; D126-E128 PolarHBondContact O-N 2.96Å; D126-F129 PolarHBondContact O-N 3.09Å; D126-Q130 WeakPolarHBondContact O-CB 3.3Å; D126-Q130 WeakPolarHBondContact O-CG 3.37Å; D126-Q130 PolarHBondContact O-N 2.97Å; D126-Q130 PolarHBondContact OD2-NE2 3.2Å
127E91.8Very high90.5Very high100 Ų10048.9 Ų48.947%0.46724%0.235SC..Hα-helixtrans-58.6-48.3176.8-71171.1-168.300111.6K123 Q124 Q130 I131K123-E127 WeakPolarHBondContact CE-OE1 3.42Å; K123-E127 WeakPolarHBondContact O-CG 3.29Å; K123-E127 PolarHBondContact O-N 2.91Å; K123-E127 VanDerWaalsContact O-N 3.11Å; Q124-E127 PolarHBondContact O-N 2.92Å; E127-Q130 PolarHBondContact O-N 2.96Å; E127-I131 WeakPolarHBondContact O-CG1 3.37Å; E127-I131 PolarHBondContact O-N 2.86Å; E127-I131 VanDerWaalsContact O-N 3.1Å
128E92.6Very high90.8Very high30 Ų3051.6 Ų51.614%0.1425%0.246CC..Hα-helixtrans-66-38.5176.8-70.3-69.9131.700112.3Q124 A125 D126 I131 L132 F193 A195 R214Q124-E128 PolarHBondContact O-N 2.85Å; A125-E128 PolarHBondContact O-N 3.24Å; D126-E128 PolarHBondContact O-N 2.96Å; E128-I131 PolarHBondContact O-N 3.41Å; E128-L132 PolarHBondContact O-N 2.93Å; E128-F193 VanDerWaalsContact CB-O 3.25Å; E128-F193 WeakPolarHBondContact CB-O 3.25Å; E128-F193 HydrophobicContact CG-CD2 4.17Å; E128-F193 WeakPolarHBondContact CG-O 3.39Å; E128-A195 HydrophobicContact CB-CB 4.44Å; E128-A195 WeakPolarHBondContact OE2-CB 3.35Å; E128-A195 PolarHBondContact OE2-N 3.47Å; E128-R214 IonicContact OE1-CZ 2.77Å; E128-R214 IonicContact OE1-NH1 3.6Å; E128-R214 PolarHBondContact OE1-NH1 2.99Å; E128-R214 IonicContact OE1-NH2 2.86Å; E128-R214 IonicContact OE2-CZ 2.89Å; E128-R214 IonicContact OE2-NH1 3.92Å; E128-R214 PolarHBondContact OE2-NH1 2.9Å; E128-R214 IonicContact OE2-NH2 3.25Å; E128-R214 PolarHBondContact OE2-NH2 2.89Å
129F94.9Very high91.1Very high0 Ų045.9 Ų45.90%022%0.222CC..Hα-helixtrans-66.7-37.1177.6-168.8-116.2000112.2V85 I107 M109 A125 D126 L132 A133 F148 A149 F171V85-F129 HydrophobicContact CG1-CD1 4.07Å; V85-F129 HydrophobicContact CG1-CE1 3.74Å; V85-F129 HydrophobicContact CG2-CD1 3.97Å; V85-F129 HydrophobicContact CG2-CE1 4.12Å; I107-F129 HydrophobicContact CG2-CE2 3.91Å; I107-F129 HydrophobicContact CG2-CZ 4.19Å; M109-F129 HydrophobicContact CB-CD1 3.89Å; M109-F129 HydrophobicContact CB-CE1 3.7Å; M109-F129 HydrophobicContact CB-CE2 4.39Å; M109-F129 HydrophobicContact CB-CG 4.31Å; M109-F129 HydrophobicContact CB-CZ 3.96Å; M109-F129 HydrophobicContact CE-CD1 4.09Å; M109-F129 HydrophobicContact SD-CB 3.93Å; M109-F129 HydrophobicContact SD-CD1 4.01Å; M109-F129 HydrophobicContact SD-CG 4.04Å; A125-F129 VanDerWaalsContact O-CB 3.25Å; A125-F129 WeakPolarHBondContact O-CB 3.5Å; A125-F129 PolarHBondContact O-N 3.37Å; D126-F129 PolarHBondContact O-N 3.09Å; F129-L132 HydrophobicContact CD2-CD2 4.43Å; F129-L132 PolarHBondContact O-N 3.02Å; F129-A133 WeakPolarHBondContact O-CB 3.41Å; F129-A133 PolarHBondContact O-N 3.04Å; F129-F148 HydrophobicContact CE1-CB 4.44Å; F129-F148 HydrophobicContact CE1-CD1 4.5Å; F129-F148 AromaticContact CE2-CD1 3.7Å; F129-F148 HydrophobicContact CE2-CD1 3.7Å; F129-F148 HydrophobicContact CE2-CE1 4.21Å; F129-F148 HydrophobicContact CZ-CB 4.21Å; F129-F148 AromaticContact CZ-CD1 3.64Å; F129-F148 HydrophobicContact CZ-CD1 3.64Å; F129-F148 HydrophobicContact CZ-CG 4.42Å; F129-A149 WeakPolarHBondContact CE1-O 3.32Å; F129-F171 HydrophobicContact CB-CE1 4.14Å; F129-F171 AromaticContact CD2-CD1 3.95Å; F129-F171 HydrophobicContact CD2-CD1 3.95Å; F129-F171 AromaticContact CD2-CE1 3.57Å; F129-F171 HydrophobicContact CD2-CE1 3.57Å; F129-F171 HydrophobicContact CE2-CD1 4.01Å; F129-F171 HydrophobicContact CE2-CE1 4.09Å; F129-F171 AromaticContact CG-CE1 3.94Å; F129-F171 HydrophobicContact CG-CE1 3.94Å
130Q94.1Very high90.8Very high81 Ų8150.6 Ų50.638%0.37926%0.255SS..Hα-helixtrans-66.1-40.7173.5-74.8-164.844.300112.2V85 D126 E127 L132 A133 N134V85-Q130 HydrophobicContact CG2-CG 4.22Å; D126-Q130 WeakPolarHBondContact O-CB 3.3Å; D126-Q130 WeakPolarHBondContact O-CG 3.37Å; D126-Q130 PolarHBondContact O-N 2.97Å; D126-Q130 PolarHBondContact OD2-NE2 3.2Å; E127-Q130 PolarHBondContact O-N 2.96Å; Q130-L132 VanDerWaalsContact C-N 3.31Å; Q130-L132 PolarHBondContact O-N 3.48Å; Q130-A133 PolarHBondContact O-N 2.86Å; Q130-N134 WeakPolarHBondContact O-CB 3.37Å; Q130-N134 PolarHBondContact O-N 3.34Å; Q130-N134 PolarHBondContact O-ND2 3.17Å
131I92.8Very high90.7Very high31 Ų3149.5 Ų49.516%0.15925%0.254CS..Hα-helixtrans-60-45.3174.9-68166.2000110.2E127 E128 N134 S135 A195 V212 R214E127-I131 WeakPolarHBondContact O-CG1 3.37Å; E127-I131 PolarHBondContact O-N 2.86Å; E127-I131 VanDerWaalsContact O-N 3.1Å; E128-I131 PolarHBondContact O-N 3.41Å; I131-N134 PolarHBondContact O-N 3.27Å; I131-S135 WeakPolarHBondContact O-CB 3.31Å; I131-S135 PolarHBondContact O-N 2.88Å; I131-S135 PolarHBondContact O-OG 3.26Å; I131-A195 HydrophobicContact CG2-CB 4.49Å; I131-V212 HydrophobicContact CG2-CG1 3.83Å; I131-R214 HydrophobicContact CG2-CG 4.21Å
132L93.8Very high90.5Very high0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-59.9-49.8176.8176.763.8000112.2E128 F129 Q130 N134 S135 W136 F148 A195 I198 A199 I202 I210 V212E128-L132 PolarHBondContact O-N 2.93Å; F129-L132 HydrophobicContact CD2-CD2 4.43Å; F129-L132 PolarHBondContact O-N 3.02Å; Q130-L132 VanDerWaalsContact C-N 3.31Å; Q130-L132 PolarHBondContact O-N 3.48Å; L132-N134 PolarHBondContact O-N 3.49Å; L132-S135 WeakPolarHBondContact O-CB 3.35Å; L132-S135 PolarHBondContact O-N 2.88Å; L132-W136 PolarHBondContact O-N 3.3Å; L132-F148 HydrophobicContact CD2-CE1 3.88Å; L132-F148 HydrophobicContact CD2-CZ 4.38Å; L132-F148 HydrophobicContact CG-CE1 4.09Å; L132-F148 HydrophobicContact CG-CZ 4.19Å; L132-A195 HydrophobicContact CB-CB 4.23Å; L132-I198 HydrophobicContact CD2-CB 3.9Å; L132-I198 HydrophobicContact CD2-CG2 3.4Å; L132-I198 VanDerWaalsContact CD2-CG2 3.4Å; L132-A199 HydrophobicContact CD1-CB 3.71Å; L132-I202 HydrophobicContact CD2-CD1 3.84Å; L132-I210 HydrophobicContact CD1-CB 4.34Å; L132-I210 HydrophobicContact CD1-CD1 4.48Å; L132-I210 HydrophobicContact CD1-CG2 3.9Å; L132-V212 HydrophobicContact CD1-CG2 3.91Å
133A93.5Very high90.2Very high1 Ų151.7 Ų51.71%0.00826%0.263CS..Hα-helixtrans-65.3-38.3-178.600000112.4P84 V85 F129 Q130 W136 R137 F148P84-A133 HydrophobicContact CB-CB 3.97Å; V85-A133 HydrophobicContact CG2-CB 3.44Å; V85-A133 VanDerWaalsContact CG2-CB 3.44Å; F129-A133 WeakPolarHBondContact O-CB 3.41Å; F129-A133 PolarHBondContact O-N 3.04Å; Q130-A133 PolarHBondContact O-N 2.86Å; A133-W136 PolarHBondContact O-N 2.91Å; A133-R137 PolarHBondContact O-N 3.49Å; A133-F148 HydrophobicContact CB-CB 3.92Å; A133-F148 HydrophobicContact CB-CD1 4.41Å; A133-F148 HydrophobicContact CB-CD2 4.04Å; A133-F148 HydrophobicContact CB-CG 3.86Å
134N92.7Very high90.1Very high54 Ų5449 Ų4929%0.28925%0.254SS..Hα-helixtrans-63.3-44.8171.8-81.2-45.4000111.5P84 Q130 I131 L132 W136 R137 Y138P84-N134 VanDerWaalsContact CB-OD1 3.26Å; P84-N134 WeakPolarHBondContact CB-OD1 3.14Å; P84-N134 WeakPolarHBondContact CG-OD1 3.46Å; Q130-N134 WeakPolarHBondContact O-CB 3.37Å; Q130-N134 PolarHBondContact O-N 3.34Å; Q130-N134 PolarHBondContact O-ND2 3.17Å; I131-N134 PolarHBondContact O-N 3.27Å; L132-N134 PolarHBondContact O-N 3.49Å; N134-W136 VanDerWaalsContact C-N 3.26Å; N134-W136 PolarHBondContact O-N 3.02Å; N134-R137 WeakPolarHBondContact O-CB 3.24Å; N134-R137 PolarHBondContact O-N 3.41Å; N134-R137 VanDerWaalsContact O-N 3.13Å; N134-Y138 WeakPolarHBondContact O-CD2 3.48Å; N134-Y138 PolarHBondContact O-N 3.01Å
135S91.5Very high90Very high5 Ų554 Ų544%0.03527%0.27CS..Hα-helixtrans-59.6-38.7177.9-58.90000111.9I131 L132 S139 R211 I213I131-S135 WeakPolarHBondContact O-CB 3.31Å; I131-S135 PolarHBondContact O-N 2.88Å; I131-S135 PolarHBondContact O-OG 3.26Å; L132-S135 WeakPolarHBondContact O-CB 3.35Å; L132-S135 PolarHBondContact O-N 2.88Å; S135-S139 WeakPolarHBondContact O-CB 3.32Å; S135-S139 PolarHBondContact O-N 3.1Å; S135-S139 VanDerWaalsContact O-N 3.11Å; S135-R211 WeakPolarHBondContact CB-O 3.24Å; S135-I213 PolarHBondContact OG-N 2.99Å; S135-I213 PolarHBondContact OG-O 3.16Å
136W92.1Very high90Very high3 Ų354.1 Ų54.11%0.01127%0.271CS..Hα-helixtrans-64.8-46.1173.4178-121.8000112.5L132 A133 N134 Y138 S139 A141 F142 T143 I146 F148 V208 I210L132-W136 PolarHBondContact O-N 3.3Å; A133-W136 PolarHBondContact O-N 2.91Å; N134-W136 VanDerWaalsContact C-N 3.26Å; N134-W136 PolarHBondContact O-N 3.02Å; W136-Y138 VanDerWaalsContact C-N 3.27Å; W136-Y138 PolarHBondContact O-N 3.28Å; W136-S139 VanDerWaalsContact O-CB 3.26Å; W136-S139 WeakPolarHBondContact O-CB 3.45Å; W136-S139 PolarHBondContact O-N 3.05Å; W136-S139 VanDerWaalsContact O-N 3.07Å; W136-A141 WeakPolarHBondContact CH2-O 3.21Å; W136-A141 HydrophobicContact CZ3-CB 4.36Å; W136-A141 WeakPolarHBondContact CZ3-O 3.41Å; W136-F142 AromaticContact CD1-CD2 3.87Å; W136-F142 AromaticContact CD1-CE2 3.93Å; W136-F142 HydrophobicContact CD2-CD2 4.22Å; W136-F142 AromaticContact CE2-CD2 3.8Å; W136-F142 HydrophobicContact CG-CD2 4.31Å; W136-F142 HydrophobicContact CZ2-CD2 4.29Å; W136-F142 AromaticContact NE1-CD2 3.58Å; W136-F142 AromaticContact NE1-CE2 3.67Å; W136-T143 VanDerWaalsContact CZ2-N 3.3Å; W136-I146 HydrophobicContact CZ2-CB 4.11Å; W136-I146 PolarHBondContact NE1-O 3.18Å; W136-F148 HydrophobicContact CB-CD2 4.39Å; W136-F148 HydrophobicContact CB-CE2 3.62Å; W136-F148 HydrophobicContact CB-CZ 4.39Å; W136-F148 AromaticContact CD1-CD2 3.86Å; W136-F148 AromaticContact CD1-CE2 3.44Å; W136-F148 VanDerWaalsContact CD1-CE2 3.44Å; W136-F148 HydrophobicContact CG-CD2 4.38Å; W136-F148 AromaticContact CG-CE2 3.61Å; W136-F148 HydrophobicContact CG-CE2 3.61Å; W136-V208 HydrophobicContact CE3-CG1 4.47Å; W136-V208 HydrophobicContact CH2-CG1 3.36Å; W136-V208 HydrophobicContact CZ2-CG1 4.28Å; W136-V208 HydrophobicContact CZ3-CG1 3.48Å; W136-V208 VanDerWaalsContact CZ3-CG1 3.48Å; W136-I210 HydrophobicContact CB-CD1 4.3Å; W136-I210 HydrophobicContact CB-CG2 4.06Å; W136-I210 HydrophobicContact CD2-CD1 4.18Å; W136-I210 HydrophobicContact CD2-CG1 4.33Å; W136-I210 HydrophobicContact CE3-CB 4.46Å; W136-I210 HydrophobicContact CE3-CD1 4.05Å; W136-I210 HydrophobicContact CE3-CG1 3.69Å; W136-I210 HydrophobicContact CE3-CG2 4.27Å; W136-I210 HydrophobicContact CG-CD1 4.33Å; W136-I210 HydrophobicContact CZ3-CG1 4.16Å
137R89.9Confident90Very high73 Ų7353.4 Ų53.428%0.27527%0.268SS..Hα-helixtrans-58.5-38.1179.4177.6179.4169.8150.4-2.9112.8T80 N81 A133 N134T80-R137 PolarHBondContact O-NH1 2.93Å; N81-R137 PolarHBondContact O-NH1 3.2Å; N81-R137 PolarHBondContact O-NH2 3.01Å; A133-R137 PolarHBondContact O-N 3.49Å; N134-R137 WeakPolarHBondContact O-CB 3.24Å; N134-R137 PolarHBondContact O-N 3.41Å; N134-R137 VanDerWaalsContact O-N 3.13Å
138Y88.3Confident90.2Very high175 Ų17548.9 Ų48.969%0.68625%0.246SC*.THydrogen-bonded Turntrans-91.62.3178.5-67.3-70.9000113.6N134 W136N134-Y138 WeakPolarHBondContact O-CD2 3.48Å; N134-Y138 PolarHBondContact O-N 3.01Å; W136-Y138 VanDerWaalsContact C-N 3.27Å; W136-Y138 PolarHBondContact O-N 3.28Å
139S88.1Confident90.3Very high25 Ų2547.4 Ų47.418%0.17524%0.239CC..  trans-72.8141.1179.9-167.70000111.4S135 W136 A141 F142S135-S139 WeakPolarHBondContact O-CB 3.32Å; S135-S139 PolarHBondContact O-N 3.1Å; S135-S139 VanDerWaalsContact O-N 3.11Å; W136-S139 VanDerWaalsContact O-CB 3.26Å; W136-S139 WeakPolarHBondContact O-CB 3.45Å; W136-S139 PolarHBondContact O-N 3.05Å; W136-S139 VanDerWaalsContact O-N 3.07Å; S139-A141 PolarHBondContact O-N 3.49Å; S139-A141 PolarHBondContact OG-N 3.45Å; S139-F142 VanDerWaalsContact O-CB 3.26Å; S139-F142 WeakPolarHBondContact O-CB 3.21Å; S139-F142 PolarHBondContact O-N 2.87Å
140S81.1Confident90.4Very high137 Ų13747.8 Ų47.896%0.95824%0.241SC*.THydrogen-bonded Turntrans-65.7-19.5169.655.90000113F142S140-F142 VanDerWaalsContact C-N 3.29Å
141A81.5Confident90.4Very high50 Ų5043.9 Ų43.941%0.41322%0.223SC..THydrogen-bonded Turntrans-8911.2176.600000113.2W136 S139 T143W136-A141 WeakPolarHBondContact CH2-O 3.21Å; W136-A141 HydrophobicContact CZ3-CB 4.36Å; W136-A141 WeakPolarHBondContact CZ3-O 3.41Å; S139-A141 PolarHBondContact O-N 3.49Å; S139-A141 PolarHBondContact OG-N 3.45Å; A141-T143 PolarHBondContact O-N 3.33Å
142F84.9Confident90.5Very high62 Ų6243 Ų4327%0.27222%0.218SC..  trans-58.1128.4-176.7178.3-105.1000112M77 T80 W136 S139 S140M77-F142 HydrophobicContact CE-CE1 3.69Å; M77-F142 HydrophobicContact CE-CZ 3.98Å; M77-F142 HydrophobicContact SD-CE1 4.38Å; M77-F142 HydrophobicContact SD-CZ 4.16Å; T80-F142 HydrophobicContact CG2-CE2 4.42Å; T80-F142 HydrophobicContact CG2-CZ 4.38Å; W136-F142 AromaticContact CD1-CD2 3.87Å; W136-F142 AromaticContact CD1-CE2 3.93Å; W136-F142 HydrophobicContact CD2-CD2 4.22Å; W136-F142 AromaticContact CE2-CD2 3.8Å; W136-F142 HydrophobicContact CG-CD2 4.31Å; W136-F142 HydrophobicContact CZ2-CD2 4.29Å; W136-F142 AromaticContact NE1-CD2 3.58Å; W136-F142 AromaticContact NE1-CE2 3.67Å; S139-F142 VanDerWaalsContact O-CB 3.26Å; S139-F142 WeakPolarHBondContact O-CB 3.21Å; S139-F142 PolarHBondContact O-N 2.87Å; S140-F142 VanDerWaalsContact C-N 3.29Å
143T84.9Confident90.5Very high49 Ų4946.1 Ų46.130%0.30123%0.232SC..  trans-134.3154.1177.161.90000111.2W136 A141 R145W136-T143 VanDerWaalsContact CZ2-N 3.3Å; A141-T143 PolarHBondContact O-N 3.33Å; T143-R145 PolarHBondContact O-N 3.4Å
144N87.6Confident90.4Very high74 Ų7449.6 Ų49.640%0.39625%0.251SS..THydrogen-bonded Turntrans-75.418.2173.164.6-11.7000113.8V73 M77 F147V73-N144 HydrophobicContact CG1-CB 4.2Å; M77-N144 HydrophobicContact CG-CB 4.38Å; M77-N144 HydrophobicContact SD-CB 3.73Å; N144-F147 HydrophobicContact CB-CZ 4.29Å; N144-F147 WeakPolarHBondContact O-CE2 3.21Å; N144-F147 WeakPolarHBondContact O-CZ 3.45Å
145R88.1Confident90.3Very high168 Ų16851 Ų5163%0.63426%0.255SS*.THydrogen-bonded Turntrans-96.1-16.2179.9-63-173.7-178.3-172.22.2112.7Y104 S105 T143Y104-R145 CarbonylContact C-O 3.5Å; Y104-R145 VanDerWaalsContact CA-O 3.29Å; Y104-R145 WeakPolarHBondContact CA-O 3.35Å; Y104-R145 WeakPolarHBondContact CB-O 3.44Å; S105-R145 PolarHBondContact N-O 3.43Å; T143-R145 PolarHBondContact O-N 3.4Å
146I91.6Very high90.2Very high3 Ų350.8 Ų50.82%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-131125.6-176.2-65.3-179000109.8S105 I107 W136 F148 I202 T206 V208S105-I146 WeakPolarHBondContact O-CA 3.37Å; I107-I146 HydrophobicContact CD1-CG2 3.35Å; W136-I146 HydrophobicContact CZ2-CB 4.11Å; W136-I146 PolarHBondContact NE1-O 3.18Å; I146-F148 HydrophobicContact CG2-CE2 4.03Å; I146-F148 HydrophobicContact CG2-CZ 4.26Å; I146-I202 HydrophobicContact CD1-CG2 4.4Å; I146-T206 HydrophobicContact CD1-CG2 4.32Å; I146-T206 VanDerWaalsContact CD1-OG1 3.3Å; I146-T206 WeakPolarHBondContact CD1-OG1 3.09Å; I146-V208 HydrophobicContact CD1-CB 3.48Å; I146-V208 VanDerWaalsContact CD1-CB 3.48Å; I146-V208 HydrophobicContact CD1-CG1 3.78Å; I146-V208 HydrophobicContact CD1-CG2 3.6Å
147F94.1Very high90.2Very high1 Ų153.1 Ų53.10%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-125.6142.6176.2-60.8-76000111.1L76 M77 Y104 S105 V106 I107 N144L76-F147 HydrophobicContact CB-CD1 3.94Å; L76-F147 HydrophobicContact CB-CD2 4.41Å; L76-F147 HydrophobicContact CB-CE1 3.73Å; L76-F147 HydrophobicContact CB-CE2 4.22Å; L76-F147 HydrophobicContact CB-CG 4.27Å; L76-F147 HydrophobicContact CB-CZ 3.88Å; L76-F147 HydrophobicContact CD1-CD2 3.84Å; L76-F147 HydrophobicContact CD1-CE2 3.94Å; L76-F147 HydrophobicContact CD1-CG 4.24Å; L76-F147 HydrophobicContact CD1-CZ 4.44Å; M77-F147 HydrophobicContact CG-CE1 4.17Å; M77-F147 HydrophobicContact CG-CZ 4.2Å; M77-F147 HydrophobicContact SD-CE1 3.7Å; M77-F147 HydrophobicContact SD-CZ 3.97Å; Y104-F147 HydrophobicContact CD1-CE2 4.04Å; Y104-F147 AromaticContact CD2-CD2 3.73Å; Y104-F147 HydrophobicContact CD2-CD2 3.73Å; Y104-F147 HydrophobicContact CD2-CE2 4.08Å; Y104-F147 HydrophobicContact CE2-CD2 4.49Å; Y104-F147 AromaticContact CG-CD2 3.75Å; Y104-F147 HydrophobicContact CG-CD2 3.75Å; Y104-F147 AromaticContact CG-CE2 3.63Å; Y104-F147 HydrophobicContact CG-CE2 3.63Å; S105-F147 PolarHBondContact O-N 2.94Å; V106-F147 WeakPolarHBondContact CA-O 3.45Å; I107-F147 PolarHBondContact N-O 3.29Å; N144-F147 HydrophobicContact CB-CZ 4.29Å; N144-F147 WeakPolarHBondContact O-CE2 3.21Å; N144-F147 WeakPolarHBondContact O-CZ 3.45Å
148F95.7Very high90.3Very high4 Ų452 Ų522%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-103.3129.2176.9-68.8-83.5000110.2I86 I107 F129 L132 A133 W136 I146 I202 I210I86-F148 PolarHBondContact N-O 3.46Å; I107-F148 HydrophobicContact CB-CD1 4.05Å; I107-F148 HydrophobicContact CB-CE1 4.14Å; I107-F148 HydrophobicContact CD1-CE1 4.34Å; I107-F148 HydrophobicContact CG1-CE1 4.42Å; I107-F148 HydrophobicContact CG2-CD1 4.37Å; I107-F148 HydrophobicContact CG2-CE1 4.38Å; F129-F148 HydrophobicContact CE1-CB 4.44Å; F129-F148 HydrophobicContact CE1-CD1 4.5Å; F129-F148 AromaticContact CE2-CD1 3.7Å; F129-F148 HydrophobicContact CE2-CD1 3.7Å; F129-F148 HydrophobicContact CE2-CE1 4.21Å; F129-F148 HydrophobicContact CZ-CB 4.21Å; F129-F148 AromaticContact CZ-CD1 3.64Å; F129-F148 HydrophobicContact CZ-CD1 3.64Å; F129-F148 HydrophobicContact CZ-CG 4.42Å; L132-F148 HydrophobicContact CD2-CE1 3.88Å; L132-F148 HydrophobicContact CD2-CZ 4.38Å; L132-F148 HydrophobicContact CG-CE1 4.09Å; L132-F148 HydrophobicContact CG-CZ 4.19Å; A133-F148 HydrophobicContact CB-CB 3.92Å; A133-F148 HydrophobicContact CB-CD1 4.41Å; A133-F148 HydrophobicContact CB-CD2 4.04Å; A133-F148 HydrophobicContact CB-CG 3.86Å; W136-F148 HydrophobicContact CB-CD2 4.39Å; W136-F148 HydrophobicContact CB-CE2 3.62Å; W136-F148 HydrophobicContact CB-CZ 4.39Å; W136-F148 AromaticContact CD1-CD2 3.86Å; W136-F148 AromaticContact CD1-CE2 3.44Å; W136-F148 VanDerWaalsContact CD1-CE2 3.44Å; W136-F148 HydrophobicContact CG-CD2 4.38Å; W136-F148 AromaticContact CG-CE2 3.61Å; W136-F148 HydrophobicContact CG-CE2 3.61Å; I146-F148 HydrophobicContact CG2-CE2 4.03Å; I146-F148 HydrophobicContact CG2-CZ 4.26Å; F148-I202 HydrophobicContact CE1-CD1 3.63Å; F148-I202 HydrophobicContact CZ-CD1 3.94Å; F148-I210 HydrophobicContact CE2-CD1 4.18Å; F148-I210 HydrophobicContact CZ-CD1 3.63Å
149A95.8Very high90.6Very high0 Ų043.6 Ų43.60%024%0.238CC..EExtended strand (participates in β ladder)trans-136.5156.9-179.900000111.5I86 M88 V106 I107 V108 M109 F129I86-A149 HydrophobicContact CB-CB 4.41Å; I86-A149 CarbonylContact O-C 3.45Å; I86-A149 WeakPolarHBondContact O-CA 3.4Å; M88-A149 HydrophobicContact CE-CB 3.47Å; M88-A149 VanDerWaalsContact CE-CB 3.47Å; M88-A149 HydrophobicContact CG-CB 4.13Å; M88-A149 HydrophobicContact SD-CB 3.7Å; V106-A149 HydrophobicContact CG1-CB 3.96Å; I107-A149 PolarHBondContact O-N 3.03Å; V108-A149 CarbonylContact C-O 3.53Å; V108-A149 WeakPolarHBondContact CA-O 3.38Å; V108-A149 HydrophobicContact CG2-CB 4.31Å; M109-A149 PolarHBondContact N-O 3.24Å; F129-A149 WeakPolarHBondContact CE1-O 3.32Å
150M95.6Very high90.8Very high7 Ų742.7 Ų42.73%0.03423%0.23CC..EExtended strand (participates in β ladder)trans-131.4143.7172.665-179.2-78.400110.1V85 I86 R87 M88 M109 T111 L113V85-M150 HydrophobicContact CG1-CB 3.84Å; V85-M150 HydrophobicContact CG1-CG 3.71Å; V85-M150 HydrophobicContact CG1-SD 3.97Å; I86-M150 PolarHBondContact O-N 2.76Å; R87-M150 HydrophobicContact CB-CG 4.41Å; R87-M150 HydrophobicContact CG-CE 4.11Å; R87-M150 HydrophobicContact CG-CG 3.65Å; R87-M150 HydrophobicContact CG-SD 3.54Å; R87-M150 VanDerWaalsContact CG-SD 3.54Å; M88-M150 PolarHBondContact N-O 2.91Å; M109-M150 HydrophobicContact CB-CB 4.45Å; M109-M150 HydrophobicContact CE-CB 3.96Å; M109-M150 CarbonylContact O-C 3.55Å; M109-M150 VanDerWaalsContact O-CA 3.24Å; M109-M150 WeakPolarHBondContact O-CA 3.44Å; T111-M150 HydrophobicContact CG2-CE 4.03Å; L113-M150 HydrophobicContact CD1-CE 3.57Å
151V95.7Very high91.3Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-124.9118.5173.3-178.90000107.3M88 F93 V108 M109 F110 T111 V159 F160M88-V151 HydrophobicContact CB-CG2 3.93Å; F93-V151 HydrophobicContact CD2-CG2 3.98Å; V108-V151 HydrophobicContact CG1-CG2 3.85Å; M109-V151 PolarHBondContact O-N 3.34Å; F110-V151 HydrophobicContact CD1-CB 3.94Å; F110-V151 HydrophobicContact CD1-CG1 4.43Å; F110-V151 HydrophobicContact CD1-CG2 4.49Å; F110-V151 HydrophobicContact CE1-CB 4.08Å; F110-V151 HydrophobicContact CE1-CG2 4.16Å; T111-V151 PolarHBondContact N-O 3.15Å; V151-V159 HydrophobicContact CG1-CB 4.45Å; V151-F160 HydrophobicContact CG1-CE2 4.15Å
152D94.8Very high91.7Very high11 Ų1145.1 Ų45.16%0.05922%0.219CC..EExtended strand (participates in β ladder)trans-84.1143.3173.2-163.5-75.8000110.2T111 L113 D154 E155 G156T111-D152 CarbonylContact O-C 3.51Å; T111-D152 WeakPolarHBondContact O-CA 3.4Å; L113-D152 PolarHBondContact N-OD2 3.02Å; D152-D154 VanDerWaalsContact C-N 3.29Å; D152-D154 PolarHBondContact O-N 3.45Å; D152-D154 PolarHBondContact OD1-N 2.97Å; D152-E155 HydrophobicContact CB-CB 4.31Å; D152-E155 HydrophobicContact CB-CG 4.3Å; D152-E155 PolarHBondContact O-N 3.07Å; D152-G156 PolarHBondContact O-N 3.32Å
153F92.9Very high91.9Very high67 Ų6744.5 Ų44.529%0.29422%0.218SC..THydrogen-bonded Turntrans-57.5-40178.2-178.3-97000112.9T111 A112 E155 S157 F160T111-F153 PolarHBondContact O-N 2.98Å; A112-F153 HydrophobicContact CB-CB 4.2Å; F153-E155 VanDerWaalsContact C-N 3.33Å; F153-S157 VanDerWaalsContact O-CA 3.31Å; F153-S157 WeakPolarHBondContact O-CA 3.41Å; F153-S157 WeakPolarHBondContact O-CB 3.04Å; F153-S157 PolarHBondContact O-N 3.37Å; F153-F160 VanDerWaalsContact CA-CE2 3.46Å; F153-F160 HydrophobicContact CB-CD2 4.42Å; F153-F160 HydrophobicContact CB-CE1 4.44Å; F153-F160 HydrophobicContact CB-CE2 4Å; F153-F160 HydrophobicContact CB-CZ 4Å; F153-F160 HydrophobicContact CD2-CB 3.98Å; F153-F160 AromaticContact CD2-CD1 3.79Å; F153-F160 HydrophobicContact CD2-CD1 3.79Å; F153-F160 AromaticContact CD2-CD2 3.86Å; F153-F160 HydrophobicContact CD2-CD2 3.86Å; F153-F160 HydrophobicContact CD2-CE1 4.16Å; F153-F160 HydrophobicContact CD2-CE2 4.24Å; F153-F160 AromaticContact CD2-CG 3.61Å; F153-F160 HydrophobicContact CD2-CG 3.61Å; F153-F160 HydrophobicContact CD2-CZ 4.37Å; F153-F160 HydrophobicContact CE2-CB 4.07Å; F153-F160 HydrophobicContact CE2-CD1 4.47Å; F153-F160 HydrophobicContact CE2-CG 4.2Å
154D91.3Very high92.2Very high74 Ų7448.5 Ų48.540%0.39624%0.238SC..THydrogen-bonded Turntrans-75.7-25-177.8-65.6-44.2000111.8Q114 R117 D152Q114-D154 WeakPolarHBondContact CB-OD2 3.29Å; R117-D154 IonicContact CZ-OD1 3.55Å; R117-D154 IonicContact NE-OD1 2.86Å; R117-D154 PolarHBondContact NE-OD1 3.31Å; R117-D154 IonicContact NE-OD2 3.62Å; R117-D154 IonicContact NH2-OD1 2.72Å; R117-D154 PolarHBondContact NH2-OD1 3.39Å; D152-D154 VanDerWaalsContact C-N 3.29Å; D152-D154 PolarHBondContact O-N 3.45Å; D152-D154 PolarHBondContact OD1-N 2.97Å
155E91.2Very high92.2Very high82 Ų8246.1 Ų46.138%0.38323%0.225SC..THydrogen-bonded Turntrans-86.6-24175-67.2-176-162.500113.3N89 D152 F153N89-E155 VanDerWaalsContact CG-O 3.22Å; N89-E155 PolarHBondContact OD1-O 2.83Å; D152-E155 HydrophobicContact CB-CB 4.31Å; D152-E155 HydrophobicContact CB-CG 4.3Å; D152-E155 PolarHBondContact O-N 3.07Å; F153-E155 VanDerWaalsContact C-N 3.33Å
156G89.6Confident92.2Very high1 Ų145.6 Ų45.61%0.0123%0.234CC..  trans-145.940.7-168.500000114.2D152 D158 V159 F160D152-G156 PolarHBondContact O-N 3.32Å; G156-D158 VanDerWaalsContact C-OD1 3.22Å; G156-D158 WeakPolarHBondContact CA-OD1 3.29Å; G156-D158 PolarHBondContact O-N 3.1Å; G156-D158 VanDerWaalsContact O-N 3.14Å; G156-V159 WeakPolarHBondContact O-CB 3.43Å; G156-V159 PolarHBondContact O-N 2.95Å; G156-F160 WeakPolarHBondContact O-CD2 3.3Å; G156-F160 PolarHBondContact O-N 3.12Å
157S91.1Very high91.9Very high52 Ų5249.3 Ų49.336%0.36426%0.261SS..Hα-helixtrans-54.6-30.7-179.458.20000113.4F153 V159 F160 Q161F153-S157 VanDerWaalsContact O-CA 3.31Å; F153-S157 WeakPolarHBondContact O-CA 3.41Å; F153-S157 WeakPolarHBondContact O-CB 3.04Å; F153-S157 PolarHBondContact O-N 3.37Å; S157-V159 VanDerWaalsContact C-N 3.33Å; S157-V159 PolarHBondContact O-N 3.18Å; S157-F160 PolarHBondContact O-N 3.36Å; S157-Q161 WeakPolarHBondContact O-CG 3.34Å; S157-Q161 PolarHBondContact O-N 2.04Å; S157-Q161 VanDerWaalsContact O-N 3.1Å
158D93.1Very high91.7Very high49 Ų4951 Ų5126%0.26227%0.274SS..Hα-helixtrans-61.9-36173.563.9-26.7000113R94 G156 M162R94-D158 IonicContact CZ-OD2 3.5Å; R94-D158 VanDerWaalsContact CZ-OD2 3.29Å; R94-D158 IonicContact NH1-OD2 2.79Å; R94-D158 PolarHBondContact NH1-OD2 3.22Å; R94-D158 IonicContact NH2-OD2 3.37Å; R94-D158 PolarHBondContact NH2-OD2 2.99Å; G156-D158 VanDerWaalsContact C-OD1 3.22Å; G156-D158 WeakPolarHBondContact CA-OD1 3.29Å; G156-D158 PolarHBondContact O-N 3.1Å; G156-D158 VanDerWaalsContact O-N 3.14Å; D158-M162 VanDerWaalsContact O-CB 3.23Å; D158-M162 WeakPolarHBondContact O-CB 3.42Å; D158-M162 PolarHBondContact O-N 3.38Å
159V93.2Very high91.5Very high0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-70.4-38.1176-176.20000111.2F93 F110 V151 G156 S157 M162 L163F93-V159 HydrophobicContact CB-CG2 4.12Å; F93-V159 HydrophobicContact CD1-CB 4.4Å; F93-V159 HydrophobicContact CD1-CG1 3.59Å; F93-V159 HydrophobicContact CD1-CG2 3.82Å; F93-V159 HydrophobicContact CD2-CG1 4.31Å; F93-V159 HydrophobicContact CE1-CG1 3.49Å; F93-V159 VanDerWaalsContact CE1-CG1 3.49Å; F93-V159 HydrophobicContact CE2-CG1 4.23Å; F93-V159 HydrophobicContact CG-CG1 4.01Å; F93-V159 HydrophobicContact CG-CG2 4.07Å; F93-V159 HydrophobicContact CZ-CG1 3.84Å; F110-V159 HydrophobicContact CE1-CG1 3.71Å; F110-V159 HydrophobicContact CZ-CG1 4.39Å; V151-V159 HydrophobicContact CG1-CB 4.45Å; G156-V159 WeakPolarHBondContact O-CB 3.43Å; G156-V159 PolarHBondContact O-N 2.95Å; S157-V159 VanDerWaalsContact C-N 3.33Å; S157-V159 PolarHBondContact O-N 3.18Å; V159-M162 PolarHBondContact O-N 2.81Å; V159-L163 HydrophobicContact CG1-CD1 3.91Å; V159-L163 WeakPolarHBondContact O-CG 3.06Å; V159-L163 PolarHBondContact O-N 2.93Å
160F92.7Very high91.4Very high6 Ų652.2 Ų52.23%0.02628%0.283CS..Hα-helixtrans-63.9-44176.6-79.9-104.2000111.4F110 V151 F153 G156 S157 L163 N164 M165F110-F160 HydrophobicContact CB-CE1 3.9Å; F110-F160 HydrophobicContact CB-CE2 4.48Å; F110-F160 HydrophobicContact CB-CZ 3.71Å; F110-F160 HydrophobicContact CD1-CE2 4.09Å; F110-F160 HydrophobicContact CD1-CZ 4.13Å; F110-F160 HydrophobicContact CG-CZ 4.41Å; V151-F160 HydrophobicContact CG1-CE2 4.15Å; F153-F160 VanDerWaalsContact CA-CE2 3.46Å; F153-F160 HydrophobicContact CB-CD2 4.42Å; F153-F160 HydrophobicContact CB-CE1 4.44Å; F153-F160 HydrophobicContact CB-CE2 4Å; F153-F160 HydrophobicContact CB-CZ 4Å; F153-F160 HydrophobicContact CD2-CB 3.98Å; F153-F160 AromaticContact CD2-CD1 3.79Å; F153-F160 HydrophobicContact CD2-CD1 3.79Å; F153-F160 AromaticContact CD2-CD2 3.86Å; F153-F160 HydrophobicContact CD2-CD2 3.86Å; F153-F160 HydrophobicContact CD2-CE1 4.16Å; F153-F160 HydrophobicContact CD2-CE2 4.24Å; F153-F160 AromaticContact CD2-CG 3.61Å; F153-F160 HydrophobicContact CD2-CG 3.61Å; F153-F160 HydrophobicContact CD2-CZ 4.37Å; F153-F160 HydrophobicContact CE2-CB 4.07Å; F153-F160 HydrophobicContact CE2-CD1 4.47Å; F153-F160 HydrophobicContact CE2-CG 4.2Å; G156-F160 WeakPolarHBondContact O-CD2 3.3Å; G156-F160 PolarHBondContact O-N 3.12Å; S157-F160 PolarHBondContact O-N 3.36Å; F160-L163 PolarHBondContact O-N 3.13Å; F160-N164 PolarHBondContact O-N 2.88Å; F160-M165 HydrophobicContact CD1-CB 4.11Å; F160-M165 HydrophobicContact CD1-CE 3.88Å; F160-M165 HydrophobicContact CE1-CE 4.25Å; F160-M165 HydrophobicContact CG-CE 4.11Å; F160-M165 PolarHBondContact O-N 3.26Å
161Q92Very high91.4Very high153 Ų15351.9 Ų51.972%0.71528%0.281SS*.Hα-helixtrans-63.2-43.8173.6-68.4177.46.300111.5S157 L163 N164S157-Q161 WeakPolarHBondContact O-CG 3.34Å; S157-Q161 PolarHBondContact O-N 2.04Å; S157-Q161 VanDerWaalsContact O-N 3.1Å; Q161-L163 PolarHBondContact O-N 3.39Å; Q161-N164 PolarHBondContact O-N 3.47Å
162M89.9Confident91.3Very high85 Ų8552.5 Ų52.542%0.41928%0.284SS..Hα-helixtrans-63.2-27.8179.8-172.7-174.5-61.300113.6K98 D158 V159K98-M162 HydrophobicContact CD-SD 3.82Å; K98-M162 VanDerWaalsContact CE-SD 3.56Å; K98-M162 PolarHBondContact NZ-SD 3.47Å; D158-M162 VanDerWaalsContact O-CB 3.23Å; D158-M162 WeakPolarHBondContact O-CB 3.42Å; D158-M162 PolarHBondContact O-N 3.38Å; V159-M162 PolarHBondContact O-N 2.81Å
163L89.8Confident91.3Very high48 Ų4852.2 Ų52.225%0.25128%0.282SS..THydrogen-bonded Turntrans-99.62177-66.7172.1000112.8F93 F110 V159 F160 Q161 M165 F174F93-L163 HydrophobicContact CZ-CD1 4.21Å; F110-L163 HydrophobicContact CE1-CD1 3.79Å; F110-L163 HydrophobicContact CE2-CD1 3.97Å; F110-L163 HydrophobicContact CZ-CD1 3.32Å; V159-L163 HydrophobicContact CG1-CD1 3.91Å; V159-L163 WeakPolarHBondContact O-CG 3.06Å; V159-L163 PolarHBondContact O-N 2.93Å; F160-L163 PolarHBondContact O-N 3.13Å; Q161-L163 PolarHBondContact O-N 3.39Å; L163-M165 VanDerWaalsContact C-N 3.29Å; L163-M165 HydrophobicContact CB-CE 3.81Å; L163-M165 HydrophobicContact CB-CG 3.94Å; L163-M165 HydrophobicContact CB-SD 4.14Å; L163-M165 HydrophobicContact CD1-CE 3.69Å; L163-M165 HydrophobicContact CD1-SD 4.33Å; L163-M165 HydrophobicContact CG-CE 4.38Å; L163-M165 PolarHBondContact O-N 3.4Å; L163-F174 HydrophobicContact CD1-CZ 4.23Å
164N90.8Very high91.4Very high133 Ų13349.5 Ų49.571%0.71127%0.271SS*.THydrogen-bonded Turntrans52.145.3-177.4-161.222.3000113F160 Q161F160-N164 PolarHBondContact O-N 2.88Å; Q161-N164 PolarHBondContact O-N 3.47Å
165M88Confident91.5Very high25 Ų2547.2 Ų47.212%0.12326%0.26CS..  trans-98.9122.9179.7-64.8-177.1-57.300110.6F110 F160 L163 T170 I172F110-M165 HydrophobicContact CB-CE 3.99Å; F110-M165 HydrophobicContact CB-SD 4.36Å; F110-M165 HydrophobicContact CD1-CE 3.37Å; F110-M165 HydrophobicContact CD1-SD 4.47Å; F110-M165 HydrophobicContact CD2-CE 3.74Å; F110-M165 HydrophobicContact CD2-SD 3.79Å; F110-M165 HydrophobicContact CE1-CE 3.71Å; F110-M165 HydrophobicContact CE2-CE 4.05Å; F110-M165 HydrophobicContact CE2-SD 4.21Å; F110-M165 HydrophobicContact CG-CE 3.39Å; F110-M165 HydrophobicContact CG-SD 3.93Å; F110-M165 HydrophobicContact CZ-CE 4.03Å; F160-M165 HydrophobicContact CD1-CB 4.11Å; F160-M165 HydrophobicContact CD1-CE 3.88Å; F160-M165 HydrophobicContact CE1-CE 4.25Å; F160-M165 HydrophobicContact CG-CE 4.11Å; F160-M165 PolarHBondContact O-N 3.26Å; L163-M165 VanDerWaalsContact C-N 3.29Å; L163-M165 HydrophobicContact CB-CE 3.81Å; L163-M165 HydrophobicContact CB-CG 3.94Å; L163-M165 HydrophobicContact CB-SD 4.14Å; L163-M165 HydrophobicContact CD1-CE 3.69Å; L163-M165 HydrophobicContact CD1-SD 4.33Å; L163-M165 HydrophobicContact CG-CE 4.38Å; L163-M165 PolarHBondContact O-N 3.4Å; M165-T170 HydrophobicContact SD-CG2 4.41Å; M165-I172 HydrophobicContact SD-CD1 4.02Å
166N86.2Confident91.3Very high156 Ų15644.5 Ų44.583%0.83425%0.251SS*.  trans-104.2-3.1-179.4-60.4-21.6000113.2
167S85.5Confident91Very high82 Ų8253.3 Ų53.357%0.57329%0.29SS*.SBendtrans-141.6148.9-174.858.40000112.3T170S167-T170 PolarHBondContact O-OG1 3.39Å
168A89.9Confident90.7Very high35 Ų3553.6 Ų53.629%0.28930%0.3SS..SBendtrans-127.7153172.200000110A112A112-A168 HydrophobicContact CB-CB 4.31Å
169P93.4Very high90.3Very high8 Ų860.2 Ų60.25%0.05233%0.327CS..  cis-85.4148.7-2.432.4-31000113.4F110 V121 A125 L188F110-P169 CarbonylContact O-C 3.1Å; F110-P169 WeakPolarHBondContact O-CA 3.46Å; V121-P169 HydrophobicContact CG1-CG 4.04Å; A125-P169 HydrophobicContact CB-CB 4.18Å; A125-P169 HydrophobicContact CB-CG 3.72Å; P169-L188 HydrophobicContact CG-CD2 3.75Å; P169-L188 WeakPolarHBondContact O-CD2 3.02Å
170T93.4Very high90Very high23 Ų2362.6 Ų62.614%0.14134%0.342CS..EExtended strand (participates in β ladder)trans-133136.7175.5-57.20000110.1F110 M165 S167 I172 T185F110-T170 PolarHBondContact N-O 2.92Å; F110-T170 PolarHBondContact O-N 3.42Å; M165-T170 HydrophobicContact SD-CG2 4.41Å; S167-T170 PolarHBondContact O-OG1 3.39Å; T170-I172 HydrophobicContact CG2-CD1 4.43Å; T170-I172 HydrophobicContact CG2-CG1 4.12Å; T170-T185 HydrophobicContact CG2-CG2 4.09Å
171F94.8Very high89.8Confident0 Ų070.1 Ų70.10%038%0.375CS..EExtended strand (participates in β ladder)trans-108.9131175.6-52.7-92.4000110.6V108 M109 A125 F129 Y186 L188 I198 W201V108-F171 WeakPolarHBondContact O-CA 3.35Å; M109-F171 HydrophobicContact CB-CD1 3.75Å; M109-F171 HydrophobicContact CB-CE1 3.72Å; M109-F171 HydrophobicContact CG-CD1 3.78Å; M109-F171 HydrophobicContact CG-CE1 3.39Å; M109-F171 HydrophobicContact CG-CZ 4.05Å; M109-F171 HydrophobicContact SD-CE1 3.61Å; M109-F171 HydrophobicContact SD-CZ 4Å; A125-F171 HydrophobicContact CB-CZ 4.11Å; F129-F171 HydrophobicContact CB-CE1 4.14Å; F129-F171 AromaticContact CD2-CD1 3.95Å; F129-F171 HydrophobicContact CD2-CD1 3.95Å; F129-F171 AromaticContact CD2-CE1 3.57Å; F129-F171 HydrophobicContact CD2-CE1 3.57Å; F129-F171 HydrophobicContact CE2-CD1 4.01Å; F129-F171 HydrophobicContact CE2-CE1 4.09Å; F129-F171 AromaticContact CG-CE1 3.94Å; F129-F171 HydrophobicContact CG-CE1 3.94Å; F171-Y186 AromaticContact CD2-CD1 3.87Å; F171-Y186 HydrophobicContact CD2-CD1 3.87Å; F171-Y186 PolarHBondContact O-N 3.26Å; F171-L188 HydrophobicContact CE2-CD1 4.4Å; F171-I198 HydrophobicContact CE1-CD1 4.14Å; F171-I198 HydrophobicContact CE2-CD1 4.1Å; F171-I198 HydrophobicContact CZ-CD1 3.84Å; F171-W201 HydrophobicContact CB-CH2 4.39Å; F171-W201 HydrophobicContact CB-CZ3 4.32Å
172I94.6Very high89.4Confident13 Ų1373.7 Ų73.77%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-131.7132.7177.9-53.8-176.8000109.7V108 F110 M165 T170 F174 P180 D184 T185V108-I172 PolarHBondContact N-O 3.44Å; V108-I172 PolarHBondContact O-N 3.34Å; F110-I172 HydrophobicContact CD2-CD1 4.18Å; F110-I172 HydrophobicContact CD2-CG1 4.2Å; F110-I172 HydrophobicContact CE2-CB 4.05Å; F110-I172 HydrophobicContact CE2-CD1 3.73Å; F110-I172 HydrophobicContact CE2-CG1 3.89Å; M165-I172 HydrophobicContact SD-CD1 4.02Å; T170-I172 HydrophobicContact CG2-CD1 4.43Å; T170-I172 HydrophobicContact CG2-CG1 4.12Å; I172-F174 HydrophobicContact CB-CD2 4.5Å; I172-F174 HydrophobicContact CB-CE2 3.87Å; I172-F174 HydrophobicContact CB-CZ 4.31Å; I172-F174 HydrophobicContact CG2-CD2 4.17Å; I172-F174 HydrophobicContact CG2-CE1 4.43Å; I172-F174 HydrophobicContact CG2-CE2 3.71Å; I172-F174 HydrophobicContact CG2-CZ 3.85Å; I172-P180 HydrophobicContact CG2-CB 4.2Å; I172-P180 HydrophobicContact CG2-CG 4.34Å; I172-D184 CarbonylContact C-O 3.55Å; I172-D184 VanDerWaalsContact CA-O 3.3Å; I172-D184 WeakPolarHBondContact CA-O 3.39Å; I172-T185 HydrophobicContact CG1-CG2 4.31Å
173N94.9Very high89.1Confident4 Ų470.8 Ų70.82%0.02137%0.374CS..EExtended strand (participates in β ladder)trans-89.6121169.7173.841000109.8P175 D184 W201N173-P175 WeakPolarHBondContact O-CD 3.49Å; N173-D184 HydrophobicContact CB-CB 4.11Å; N173-D184 PolarHBondContact N-O 3.24Å; N173-D184 PolarHBondContact ND2-OD1 3.42Å; N173-D184 WeakPolarHBondContact O-CB 3.23Å; N173-W201 HydrophobicContact CB-CH2 3.77Å; N173-W201 HydrophobicContact CB-CZ2 3.81Å
174F94.3Very high89.1Confident10 Ų1069 Ų694%0.04437%0.365CS..EExtended strand (participates in β ladder)trans-98.8105.2172.3-69.9-89.1000109.1F93 V97 S105 V106 V108 F110 L163 I172 P180F93-F174 HydrophobicContact CE2-CE2 4.04Å; F93-F174 HydrophobicContact CE2-CZ 4.17Å; F93-F174 HydrophobicContact CZ-CE1 4.18Å; F93-F174 HydrophobicContact CZ-CE2 4.03Å; F93-F174 AromaticContact CZ-CZ 3.68Å; F93-F174 HydrophobicContact CZ-CZ 3.68Å; V97-F174 HydrophobicContact CG1-CB 3.73Å; V97-F174 HydrophobicContact CG1-CD1 3.84Å; V97-F174 HydrophobicContact CG1-CD2 3.64Å; V97-F174 HydrophobicContact CG1-CE1 4.4Å; V97-F174 HydrophobicContact CG1-CE2 4.2Å; V97-F174 HydrophobicContact CG1-CG 3.43Å; V97-F174 VanDerWaalsContact CG1-CG 3.43Å; S105-F174 VanDerWaalsContact CA-O 3.28Å; S105-F174 WeakPolarHBondContact CA-O 3.06Å; V106-F174 PolarHBondContact N-O 2.96Å; V106-F174 PolarHBondContact O-N 3.22Å; V108-F174 HydrophobicContact CB-CD2 4.25Å; V108-F174 HydrophobicContact CB-CE2 4.04Å; V108-F174 HydrophobicContact CG2-CD2 3.66Å; V108-F174 HydrophobicContact CG2-CE2 3.85Å; F110-F174 HydrophobicContact CE2-CE2 4.22Å; F110-F174 HydrophobicContact CZ-CE2 4.14Å; F110-F174 HydrophobicContact CZ-CZ 4.3Å; L163-F174 HydrophobicContact CD1-CZ 4.23Å; I172-F174 HydrophobicContact CB-CD2 4.5Å; I172-F174 HydrophobicContact CB-CE2 3.87Å; I172-F174 HydrophobicContact CB-CZ 4.31Å; I172-F174 HydrophobicContact CG2-CD2 4.17Å; I172-F174 HydrophobicContact CG2-CE1 4.43Å; I172-F174 HydrophobicContact CG2-CE2 3.71Å; I172-F174 HydrophobicContact CG2-CZ 3.85Å; F174-P180 HydrophobicContact CD1-CG 3.4Å; F174-P180 VanDerWaalsContact CD1-CG 3.4Å; F174-P180 HydrophobicContact CE1-CG 3.52Å; F174-P180 HydrophobicContact CG-CG 4.22Å; F174-P180 HydrophobicContact CZ-CG 4.42Å
175P92.3Very high89.2Confident26 Ų2665.4 Ų65.417%0.16935%0.347CS..  trans-68.4156.4-178.528.2-35000111.8R102 N173 K177R102-P175 PolarHBondContact NH2-O 3.06Å; N173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-K177 PolarHBondContact O-N 2.95Å
176A87.3Confident89.3Confident25 Ų2564.5 Ų64.521%0.20734%0.343CS..SBendtrans-55.6-34.9176.600000113Y104Y104-A176 VanDerWaalsContact O-CA 3.28Å; Y104-A176 WeakPolarHBondContact O-CA 3.46Å
177K84.3Confident89.3Confident187 Ų18762.2 Ų62.281%0.81333%0.327SS*.SBendtrans-124.7134.3179.9-60.7-175.9-178.1178.40110.9P175P175-K177 PolarHBondContact O-N 2.95Å
178G84.4Confident89.4Confident57 Ų5759.8 Ų59.859%0.58831%0.307SS*.SBendtrans86.3-172.7175.400000114.7R102R102-G178 PolarHBondContact NH2-O 3.07Å
179K84.1Confident89.1Confident188 Ų18867.5 Ų67.582%0.81734%0.338SS*.PPolyproline II helixtrans-89.9152173.3-65-177.9-177.9178.90109.5K181K179-K181 PolarHBondContact O-N 3.37Å
180P87.4Confident88.6Confident50 Ų5072.7 Ų72.733%0.32537%0.369SS..PPolyproline II helixtrans-55.1134.9172.3-22.432.7000111.1I172 F174 D184I172-P180 HydrophobicContact CG2-CB 4.2Å; I172-P180 HydrophobicContact CG2-CG 4.34Å; F174-P180 HydrophobicContact CD1-CG 3.4Å; F174-P180 VanDerWaalsContact CD1-CG 3.4Å; F174-P180 HydrophobicContact CE1-CG 3.52Å; F174-P180 HydrophobicContact CG-CG 4.22Å; F174-P180 HydrophobicContact CZ-CG 4.42Å; P180-D184 HydrophobicContact CB-CB 4.06Å
181K88.8Confident88Confident165 Ų16576.9 Ų76.972%0.71738%0.382SS*.PPolyproline II helixtrans-82.5166.2171.5-65.1178.6-179.4179.60109.5K179 G183 D184K179-K181 PolarHBondContact O-N 3.37Å; K181-G183 PolarHBondContact O-N 2.92Å; K181-G183 VanDerWaalsContact O-N 3.15Å; K181-D184 WeakPolarHBondContact CB-OD2 3.25Å; K181-D184 PolarHBondContact N-OD2 2.84Å; K181-D184 WeakPolarHBondContact O-CB 3.41Å; K181-D184 PolarHBondContact O-N 3.49Å
182R83.3Confident87.7Confident228 Ų22878.2 Ų78.286%0.8640%0.396SS*.G310 helixtrans-54.6-36.5175.9-171.3174.6176.9171.6-0.3112.4D184 T185R182-D184 VanDerWaalsContact C-N 3.26Å; R182-D184 PolarHBondContact O-N 3.03Å; R182-T185 PolarHBondContact O-N 3.5Å
183G83.9Confident87.4Confident24 Ų2480.9 Ų80.925%0.24741%0.407CS..G310 helixtrans-70.6-16.1176.800000115.6K181 T185 W201 R205K181-G183 PolarHBondContact O-N 2.92Å; K181-G183 VanDerWaalsContact O-N 3.15Å; G183-T185 PolarHBondContact O-N 3.39Å; G183-W201 PolarHBondContact O-NE1 3.41Å; G183-R205 VanDerWaalsContact C-CZ 3.49Å; G183-R205 VanDerWaalsContact C-NE 3.25Å; G183-R205 VanDerWaalsContact C-NH2 3.31Å; G183-R205 PolarHBondContact O-NE 3.33Å; G183-R205 PolarHBondContact O-NH2 3.27Å
184D89.9Confident87.2Confident11 Ų1182.4 Ų82.46%0.05942%0.418CS..G310 helixtrans-82.71.4175.6-67.3-49000112.3I172 N173 P180 K181 R182 W201 R205I172-D184 CarbonylContact C-O 3.55Å; I172-D184 VanDerWaalsContact CA-O 3.3Å; I172-D184 WeakPolarHBondContact CA-O 3.39Å; N173-D184 HydrophobicContact CB-CB 4.11Å; N173-D184 PolarHBondContact N-O 3.24Å; N173-D184 PolarHBondContact ND2-OD1 3.42Å; N173-D184 WeakPolarHBondContact O-CB 3.23Å; P180-D184 HydrophobicContact CB-CB 4.06Å; K181-D184 WeakPolarHBondContact CB-OD2 3.25Å; K181-D184 PolarHBondContact N-OD2 2.84Å; K181-D184 WeakPolarHBondContact O-CB 3.41Å; K181-D184 PolarHBondContact O-N 3.49Å; R182-D184 VanDerWaalsContact C-N 3.26Å; R182-D184 PolarHBondContact O-N 3.03Å; D184-W201 WeakPolarHBondContact O-CZ2 3.4Å; D184-R205 WeakPolarHBondContact OD1-CD 3.44Å; D184-R205 IonicContact OD1-NE 3.99Å
185T91.8Very high87.1Confident57 Ų5782 Ų8235%0.3542%0.416SS..BIsolated β-bridgetrans-99.1128.5166-54.30000108.3T170 I172 R182 G183T170-T185 HydrophobicContact CG2-CG2 4.09Å; I172-T185 HydrophobicContact CG1-CG2 4.31Å; R182-T185 PolarHBondContact O-N 3.5Å; G183-T185 PolarHBondContact O-N 3.39Å
186Y91.1Very high87Confident6 Ų683.6 Ų83.62%0.02442%0.422CS..  trans-81.4124.7-180-174.9-104.2000111F171 L188 R191 G192 Q197 I198 W201F171-Y186 AromaticContact CD2-CD1 3.87Å; F171-Y186 HydrophobicContact CD2-CD1 3.87Å; F171-Y186 PolarHBondContact O-N 3.26Å; Y186-L188 HydrophobicContact CD1-CB 4.28Å; Y186-L188 HydrophobicContact CE1-CB 4.49Å; Y186-L188 HydrophobicContact CE1-CD1 4.2Å; Y186-L188 PolarHBondContact O-N 2.69Å; Y186-R191 HydrophobicContact CE1-CB 4.39Å; Y186-R191 HydrophobicContact CE2-CB 4.14Å; Y186-R191 VanDerWaalsContact OH-CB 3.24Å; Y186-R191 WeakPolarHBondContact OH-CB 3.48Å; Y186-G192 WeakPolarHBondContact CE1-O 3.25Å; Y186-G192 VanDerWaalsContact CZ-O 3.3Å; Y186-G192 PolarHBondContact OH-O 3.4Å; Y186-Q197 WeakPolarHBondContact OH-CB 3.36Å; Y186-I198 HydrophobicContact CE1-CG1 4.24Å; Y186-W201 HydrophobicContact CD2-CB 3.8Å; Y186-W201 AromaticContact CD2-CD2 3.6Å; Y186-W201 HydrophobicContact CD2-CD2 3.6Å; Y186-W201 AromaticContact CD2-CE3 3.92Å; Y186-W201 HydrophobicContact CD2-CE3 3.92Å; Y186-W201 AromaticContact CD2-CG 3.53Å; Y186-W201 HydrophobicContact CD2-CG 3.53Å; Y186-W201 HydrophobicContact CE2-CB 3.83Å; Y186-W201 HydrophobicContact CE2-CD2 4.45Å; Y186-W201 HydrophobicContact CE2-CG 4.09Å; Y186-W201 HydrophobicContact CG-CD2 4.32Å; Y186-W201 HydrophobicContact CG-CE3 4.41Å
187E86.8Confident87.3Confident107 Ų10785.6 Ų85.650%0.543%0.427SS..  trans-81.382.6177.8-68.6177.7-179.200110.9Q189 V190 R191E187-Q189 VanDerWaalsContact C-N 3.28Å; E187-Q189 PolarHBondContact O-N 3.4Å; E187-V190 PolarHBondContact O-N 3.42Å; E187-R191 PolarHBondContact O-N 2.9Å
188L87.3Confident87.7Confident31 Ų3176.7 Ų76.716%0.16239%0.388CS..Hα-helixtrans-57.5-38.1-176.5178.361.8000113.4P169 F171 Y186 V190 G192 F193P169-L188 HydrophobicContact CG-CD2 3.75Å; P169-L188 WeakPolarHBondContact O-CD2 3.02Å; F171-L188 HydrophobicContact CE2-CD1 4.4Å; Y186-L188 HydrophobicContact CD1-CB 4.28Å; Y186-L188 HydrophobicContact CE1-CB 4.49Å; Y186-L188 HydrophobicContact CE1-CD1 4.2Å; Y186-L188 PolarHBondContact O-N 2.69Å; L188-V190 VanDerWaalsContact C-N 3.28Å; L188-V190 PolarHBondContact O-N 2.88Å; L188-G192 WeakPolarHBondContact O-CA 3.28Å; L188-G192 PolarHBondContact O-N 3.29Å; L188-F193 HydrophobicContact CD1-CB 3.59Å; L188-F193 HydrophobicContact CD1-CD1 4.06Å; L188-F193 HydrophobicContact CD1-CG 4.33Å
189Q82.1Confident88.1Confident198 Ų19874.2 Ų74.293%0.92536%0.362SS*.Hα-helixtrans-64.8-30.6-175.9-67.8178.4-1800113.3E187E187-Q189 VanDerWaalsContact C-N 3.28Å; E187-Q189 PolarHBondContact O-N 3.4Å
190V83.4Confident88.5Confident117 Ų11772.3 Ų72.371%0.70935%0.349SS*.Hα-helixtrans-96.1-41.2-175.6-176.70000111.2E187 L188E187-V190 PolarHBondContact O-N 3.42Å; L188-V190 VanDerWaalsContact C-N 3.28Å; L188-V190 PolarHBondContact O-N 2.88Å
191R82.1Confident88.8Confident110 Ų11070 Ų7042%0.41534%0.335SS..Hα-helixtrans-94.5-15.8-171.7-62.2-176-179.6-155.7-3.7114.2Y186 E187Y186-R191 HydrophobicContact CE1-CB 4.39Å; Y186-R191 HydrophobicContact CE2-CB 4.14Å; Y186-R191 VanDerWaalsContact OH-CB 3.24Å; Y186-R191 WeakPolarHBondContact OH-CB 3.48Å; E187-R191 PolarHBondContact O-N 2.9Å
192G87.5Confident89Confident29 Ų2962.2 Ų62.230%0.29930%0.301SS..  trans73.8176.7-172.300000113Y186 L188Y186-G192 WeakPolarHBondContact CE1-O 3.25Å; Y186-G192 VanDerWaalsContact CZ-O 3.3Å; Y186-G192 PolarHBondContact OH-O 3.4Å; L188-G192 WeakPolarHBondContact O-CA 3.28Å; L188-G192 PolarHBondContact O-N 3.29Å
193F88.9Confident89.4Confident68 Ų6852.3 Ų52.330%0.29827%0.268SS..SBendtrans-104.316.4-17543.8-90.5000114.2Q124 A125 E128 L188 A195Q124-F193 HydrophobicContact CB-CE2 3.91Å; Q124-F193 HydrophobicContact CB-CZ 4.26Å; A125-F193 HydrophobicContact CB-CB 4.34Å; E128-F193 VanDerWaalsContact CB-O 3.25Å; E128-F193 WeakPolarHBondContact CB-O 3.25Å; E128-F193 HydrophobicContact CG-CD2 4.17Å; E128-F193 WeakPolarHBondContact CG-O 3.39Å; L188-F193 HydrophobicContact CD1-CB 3.59Å; L188-F193 HydrophobicContact CD1-CD1 4.06Å; L188-F193 HydrophobicContact CD1-CG 4.33Å; F193-A195 PolarHBondContact O-N 2.8Å
194S89.8Confident89.8Confident37 Ų3756.7 Ų56.726%0.25929%0.285SS..  trans-65.3139.3-179.398.60000111E196 Q197 I198S194-E196 WeakPolarHBondContact CB-OE2 3.42Å; S194-E196 PolarHBondContact O-N 3.41Å; S194-E196 VanDerWaalsContact O-N 3.17Å; S194-E196 PolarHBondContact OG-OE2 3.48Å; S194-E196 VanDerWaalsContact OG-OE2 3.06Å; S194-Q197 PolarHBondContact O-N 2.95Å; S194-Q197 WeakPolarHBondContact OG-CG 3.5Å; S194-Q197 PolarHBondContact OG-N 3.4Å; S194-I198 PolarHBondContact O-N 3.3Å; S194-I198 VanDerWaalsContact O-N 3.1Å
195A91.6Very high89.8Confident0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-55.3-35.4-178.600000112.2E128 I131 L132 F193 A199 V212E128-A195 HydrophobicContact CB-CB 4.44Å; E128-A195 WeakPolarHBondContact OE2-CB 3.35Å; E128-A195 PolarHBondContact OE2-N 3.47Å; I131-A195 HydrophobicContact CG2-CB 4.49Å; L132-A195 HydrophobicContact CB-CB 4.23Å; F193-A195 PolarHBondContact O-N 2.8Å; A195-A199 VanDerWaalsContact O-CB 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.45Å; A195-A199 PolarHBondContact O-N 3.39Å; A195-V212 HydrophobicContact CB-CG1 3.74Å; A195-V212 HydrophobicContact CB-CG2 4.23Å
196E91.5Very high89.6Confident61 Ų6160.3 Ų60.329%0.28530%0.295SS..Hα-helixtrans-67.6-36.8178.1-57.478.3-170.900112.5S194 A199 R200 V212 R214S194-E196 WeakPolarHBondContact CB-OE2 3.42Å; S194-E196 PolarHBondContact O-N 3.41Å; S194-E196 VanDerWaalsContact O-N 3.17Å; S194-E196 PolarHBondContact OG-OE2 3.48Å; S194-E196 VanDerWaalsContact OG-OE2 3.06Å; E196-A199 PolarHBondContact O-N 3.37Å; E196-R200 WeakPolarHBondContact O-CG 3.43Å; E196-R200 PolarHBondContact O-N 2.79Å; E196-V212 HydrophobicContact CG-CB 4.34Å; E196-V212 HydrophobicContact CG-CG2 4.47Å; E196-R214 VanDerWaalsContact CD-NH2 3.27Å; E196-R214 IonicContact OE1-CZ 2.61Å; E196-R214 VanDerWaalsContact OE1-CZ 3.25Å; E196-R214 IonicContact OE1-NE 3.78Å; E196-R214 PolarHBondContact OE1-NE 3.03Å; E196-R214 IonicContact OE1-NH2 2.76Å; E196-R214 PolarHBondContact OE1-NH2 3.21Å; E196-R214 IonicContact OE2-CZ 2.8Å; E196-R214 IonicContact OE2-NH2 3.49Å; E196-R214 PolarHBondContact OE2-NH2 3.32Å
197Q92.6Very high89.5Confident67 Ų6767.6 Ų67.631%0.31333%0.334SS..Hα-helixtrans-72.8-40.1177.9-65.2-65.9-10.300111.2Y186 S194 A199 R200 W201Y186-Q197 WeakPolarHBondContact OH-CB 3.36Å; S194-Q197 PolarHBondContact O-N 2.95Å; S194-Q197 WeakPolarHBondContact OG-CG 3.5Å; S194-Q197 PolarHBondContact OG-N 3.4Å; Q197-A199 VanDerWaalsContact C-N 3.33Å; Q197-R200 PolarHBondContact O-N 3.32Å; Q197-W201 PolarHBondContact O-N 2.96Å
198I93.3Very high89.5Confident0 Ų063.9 Ų63.90%032%0.319CS..Hα-helixtrans-63.2-42.8173.2-58.3172.5000109.6L132 F171 Y186 S194 R200 W201 I202L132-I198 HydrophobicContact CD2-CB 3.9Å; L132-I198 HydrophobicContact CD2-CG2 3.4Å; L132-I198 VanDerWaalsContact CD2-CG2 3.4Å; F171-I198 HydrophobicContact CE1-CD1 4.14Å; F171-I198 HydrophobicContact CE2-CD1 4.1Å; F171-I198 HydrophobicContact CZ-CD1 3.84Å; Y186-I198 HydrophobicContact CE1-CG1 4.24Å; S194-I198 PolarHBondContact O-N 3.3Å; S194-I198 VanDerWaalsContact O-N 3.1Å; I198-R200 PolarHBondContact O-N 3.2Å; I198-W201 HydrophobicContact CG2-CE3 4.09Å; I198-W201 HydrophobicContact CG2-CZ3 4.35Å; I198-W201 PolarHBondContact O-N 3.03Å; I198-I202 HydrophobicContact CG2-CD1 4.01Å; I198-I202 HydrophobicContact CG2-CG1 4.44Å; I198-I202 VanDerWaalsContact O-CG1 3.29Å; I198-I202 WeakPolarHBondContact O-CG1 3.26Å; I198-I202 PolarHBondContact O-N 2.86Å
199A92.9Very high89.6Confident4 Ų467.9 Ų67.93%0.03334%0.34CS..Hα-helixtrans-59.3-43.8175.900000112.8L132 A195 E196 Q197 I202 A203 I210 V212L132-A199 HydrophobicContact CD1-CB 3.71Å; A195-A199 VanDerWaalsContact O-CB 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.45Å; A195-A199 PolarHBondContact O-N 3.39Å; E196-A199 PolarHBondContact O-N 3.37Å; Q197-A199 VanDerWaalsContact C-N 3.33Å; A199-I202 PolarHBondContact O-N 2.89Å; A199-A203 WeakPolarHBondContact O-CB 3.46Å; A199-A203 PolarHBondContact O-N 3.47Å; A199-I210 HydrophobicContact CB-CB 4.36Å; A199-V212 HydrophobicContact CB-CG2 3.83Å
200R92.3Very high89.9Confident148 Ų14858.6 Ų58.656%0.55830%0.297SS*.Hα-helixtrans-62.8-44.8175.6-74.2172.7-175.4162.70.2111.9E196 Q197 I198 I202 A203 D204E196-R200 WeakPolarHBondContact O-CG 3.43Å; E196-R200 PolarHBondContact O-N 2.79Å; Q197-R200 PolarHBondContact O-N 3.32Å; I198-R200 PolarHBondContact O-N 3.2Å; R200-I202 VanDerWaalsContact C-N 3.32Å; R200-I202 PolarHBondContact O-N 3.06Å; R200-A203 WeakPolarHBondContact O-CB 3.26Å; R200-A203 PolarHBondContact O-N 2.96Å; R200-A203 VanDerWaalsContact O-N 3.17Å; R200-D204 VanDerWaalsContact O-CG 3.3Å; R200-D204 PolarHBondContact O-N 2.8Å
201W93.4Very high90.1Very high3 Ų362.6 Ų62.61%0.01130%0.299CS..Hα-helixtrans-62-39.4175.7164.473.9000112.4I107 F171 N173 G183 D184 Y186 Q197 I198 D204 R205I107-W201 HydrophobicContact CG2-CH2 4.41Å; I107-W201 HydrophobicContact CG2-CZ3 4.04Å; F171-W201 HydrophobicContact CB-CH2 4.39Å; F171-W201 HydrophobicContact CB-CZ3 4.32Å; N173-W201 HydrophobicContact CB-CH2 3.77Å; N173-W201 HydrophobicContact CB-CZ2 3.81Å; G183-W201 PolarHBondContact O-NE1 3.41Å; D184-W201 WeakPolarHBondContact O-CZ2 3.4Å; Y186-W201 HydrophobicContact CD2-CB 3.8Å; Y186-W201 AromaticContact CD2-CD2 3.6Å; Y186-W201 HydrophobicContact CD2-CD2 3.6Å; Y186-W201 AromaticContact CD2-CE3 3.92Å; Y186-W201 HydrophobicContact CD2-CE3 3.92Å; Y186-W201 AromaticContact CD2-CG 3.53Å; Y186-W201 HydrophobicContact CD2-CG 3.53Å; Y186-W201 HydrophobicContact CE2-CB 3.83Å; Y186-W201 HydrophobicContact CE2-CD2 4.45Å; Y186-W201 HydrophobicContact CE2-CG 4.09Å; Y186-W201 HydrophobicContact CG-CD2 4.32Å; Y186-W201 HydrophobicContact CG-CE3 4.41Å; Q197-W201 PolarHBondContact O-N 2.96Å; I198-W201 HydrophobicContact CG2-CE3 4.09Å; I198-W201 HydrophobicContact CG2-CZ3 4.35Å; I198-W201 PolarHBondContact O-N 3.03Å; W201-D204 PolarHBondContact O-N 3.33Å; W201-R205 WeakPolarHBondContact O-CG 3.47Å; W201-R205 PolarHBondContact O-N 3.13Å
202I92.6Very high90.5Very high1 Ų158.9 Ų58.91%0.00529%0.289CS..Hα-helixtrans-63.1-45.3173.4-67.6170.6000110I107 L132 I146 F148 I198 A199 R200 D204 R205 T206 I210I107-I202 HydrophobicContact CD1-CD1 4.34Å; I107-I202 HydrophobicContact CD1-CG2 4.38Å; I107-I202 HydrophobicContact CG1-CD1 3.92Å; I107-I202 HydrophobicContact CG1-CG1 4.03Å; I107-I202 HydrophobicContact CG2-CD1 4.29Å; L132-I202 HydrophobicContact CD2-CD1 3.84Å; I146-I202 HydrophobicContact CD1-CG2 4.4Å; F148-I202 HydrophobicContact CE1-CD1 3.63Å; F148-I202 HydrophobicContact CZ-CD1 3.94Å; I198-I202 HydrophobicContact CG2-CD1 4.01Å; I198-I202 HydrophobicContact CG2-CG1 4.44Å; I198-I202 VanDerWaalsContact O-CG1 3.29Å; I198-I202 WeakPolarHBondContact O-CG1 3.26Å; I198-I202 PolarHBondContact O-N 2.86Å; A199-I202 PolarHBondContact O-N 2.89Å; R200-I202 VanDerWaalsContact C-N 3.32Å; R200-I202 PolarHBondContact O-N 3.06Å; I202-D204 VanDerWaalsContact C-N 3.31Å; I202-D204 PolarHBondContact O-N 3.11Å; I202-R205 PolarHBondContact O-N 3.07Å; I202-T206 HydrophobicContact CG2-CG2 4.43Å; I202-T206 WeakPolarHBondContact CG2-OG1 3.04Å; I202-T206 PolarHBondContact O-N 3.19Å; I202-T206 PolarHBondContact O-OG1 2.98Å; I202-I210 HydrophobicContact CD1-CD1 4.45Å; I202-I210 HydrophobicContact CG2-CD1 4.14Å
203A92.2Very high90.4Very high20 Ų2063.2 Ų63.217%0.16530%0.304CS..Hα-helixtrans-57.1-44.1176.700000111.9A199 R200 R205 D207 V208A199-A203 WeakPolarHBondContact O-CB 3.46Å; A199-A203 PolarHBondContact O-N 3.47Å; R200-A203 WeakPolarHBondContact O-CB 3.26Å; R200-A203 PolarHBondContact O-N 2.96Å; R200-A203 VanDerWaalsContact O-N 3.17Å; A203-R205 PolarHBondContact O-N 3.32Å; A203-D207 WeakPolarHBondContact O-CA 3.37Å; A203-D207 PolarHBondContact O-N 3.37Å; A203-V208 WeakPolarHBondContact CA-O 3.5Å
204D91.8Very high90.2Very high116 Ų11665.1 Ų65.162%0.6231%0.309SS*.Hα-helixtrans-62.3-25176.6-65-21000113.5R200 W201 I202R200-D204 VanDerWaalsContact O-CG 3.3Å; R200-D204 PolarHBondContact O-N 2.8Å; W201-D204 PolarHBondContact O-N 3.33Å; I202-D204 VanDerWaalsContact C-N 3.31Å; I202-D204 PolarHBondContact O-N 3.11Å
205R90.6Very high89.6Confident115 Ų11567.7 Ų67.743%0.43433%0.325SS..Hα-helixtrans-100.5-34.4-176.1-65.5-57.7178.4-146.8-10.4114.4G183 D184 W201 I202 A203G183-R205 VanDerWaalsContact C-CZ 3.49Å; G183-R205 VanDerWaalsContact C-NE 3.25Å; G183-R205 VanDerWaalsContact C-NH2 3.31Å; G183-R205 PolarHBondContact O-NE 3.33Å; G183-R205 PolarHBondContact O-NH2 3.27Å; D184-R205 WeakPolarHBondContact OD1-CD 3.44Å; D184-R205 IonicContact OD1-NE 3.99Å; W201-R205 WeakPolarHBondContact O-CG 3.47Å; W201-R205 PolarHBondContact O-N 3.13Å; I202-R205 PolarHBondContact O-N 3.07Å; A203-R205 PolarHBondContact O-N 3.32Å
206T87.9Confident88.8Confident28 Ų2871.6 Ų71.617%0.17235%0.35CS..Hα-helixtrans-115.7-3.4-173.864.50000113.3I146 I202 V208I146-T206 HydrophobicContact CD1-CG2 4.32Å; I146-T206 VanDerWaalsContact CD1-OG1 3.3Å; I146-T206 WeakPolarHBondContact CD1-OG1 3.09Å; I202-T206 HydrophobicContact CG2-CG2 4.43Å; I202-T206 WeakPolarHBondContact CG2-OG1 3.04Å; I202-T206 PolarHBondContact O-N 3.19Å; I202-T206 PolarHBondContact O-OG1 2.98Å; T206-V208 PolarHBondContact O-N 3.26Å
207D88.6Confident88.1Confident159 Ų15974.4 Ų74.485%0.8537%0.367SS*.SBendtrans60.124.1-177.9-150.419.6000113.3A203A203-D207 WeakPolarHBondContact O-CA 3.37Å; A203-D207 PolarHBondContact O-N 3.37Å
208V87.5Confident87.4Confident30 Ų3079.4 Ų79.418%0.18239%0.385CS..  trans-117.4116-179.9175.70000108.7W136 I146 A203 T206 I210W136-V208 HydrophobicContact CE3-CG1 4.47Å; W136-V208 HydrophobicContact CH2-CG1 3.36Å; W136-V208 HydrophobicContact CZ2-CG1 4.28Å; W136-V208 HydrophobicContact CZ3-CG1 3.48Å; W136-V208 VanDerWaalsContact CZ3-CG1 3.48Å; I146-V208 HydrophobicContact CD1-CB 3.48Å; I146-V208 VanDerWaalsContact CD1-CB 3.48Å; I146-V208 HydrophobicContact CD1-CG1 3.78Å; I146-V208 HydrophobicContact CD1-CG2 3.6Å; A203-V208 WeakPolarHBondContact CA-O 3.5Å; T206-V208 PolarHBondContact O-N 3.26Å; V208-I210 HydrophobicContact CG1-CG1 4.4Å
209N88.6Confident86.8Confident114 Ų11482.1 Ų82.161%0.6141%0.407SS*.  trans-89.3114.5-178.9-169.1-1.4000111.1
210I89.1Confident86.2Confident4 Ų483.9 Ų83.92%0.02143%0.425CS..  trans-99.2113.9179.9-52.5178.6000108.9L132 W136 F148 A199 I202 V208 V212L132-I210 HydrophobicContact CD1-CB 4.34Å; L132-I210 HydrophobicContact CD1-CD1 4.48Å; L132-I210 HydrophobicContact CD1-CG2 3.9Å; W136-I210 HydrophobicContact CB-CD1 4.3Å; W136-I210 HydrophobicContact CB-CG2 4.06Å; W136-I210 HydrophobicContact CD2-CD1 4.18Å; W136-I210 HydrophobicContact CD2-CG1 4.33Å; W136-I210 HydrophobicContact CE3-CB 4.46Å; W136-I210 HydrophobicContact CE3-CD1 4.05Å; W136-I210 HydrophobicContact CE3-CG1 3.69Å; W136-I210 HydrophobicContact CE3-CG2 4.27Å; W136-I210 HydrophobicContact CG-CD1 4.33Å; W136-I210 HydrophobicContact CZ3-CG1 4.16Å; F148-I210 HydrophobicContact CE2-CD1 4.18Å; F148-I210 HydrophobicContact CZ-CD1 3.63Å; A199-I210 HydrophobicContact CB-CB 4.36Å; I202-I210 HydrophobicContact CD1-CD1 4.45Å; I202-I210 HydrophobicContact CG2-CD1 4.14Å; V208-I210 HydrophobicContact CG1-CG1 4.4Å; I210-V212 PolarHBondContact O-N 2.93Å
211R88.1Confident85.9Confident200 Ų20080.9 Ų80.976%0.75543%0.425SS*.  trans-79.2113.6172.7-66.1-175.1-179.8-172.90.2109.4S135S135-R211 WeakPolarHBondContact CB-O 3.24Å
212V89.4Confident85.6Confident32 Ų3287.1 Ų87.119%0.19446%0.458CS..  trans-77.1126.6179.5-177.50000110I131 L132 A195 E196 A199 I210I131-V212 HydrophobicContact CG2-CG1 3.83Å; L132-V212 HydrophobicContact CD1-CG2 3.91Å; A195-V212 HydrophobicContact CB-CG1 3.74Å; A195-V212 HydrophobicContact CB-CG2 4.23Å; E196-V212 HydrophobicContact CG-CB 4.34Å; E196-V212 HydrophobicContact CG-CG2 4.47Å; A199-V212 HydrophobicContact CB-CG2 3.83Å; I210-V212 PolarHBondContact O-N 2.93Å
213I85.8Confident85.2Confident120 Ų12092.7 Ų92.762%0.61549%0.485SS*.  trans-117.6113.1174.2-57.7174.8000107.3S135S135-I213 PolarHBondContact OG-N 2.99Å; S135-I213 PolarHBondContact OG-O 3.16Å
214R84.4Confident85Confident108 Ų10896.5 Ų96.541%0.40850%0.502SS..PPolyproline II helixtrans-79.9128177.4-66.6178.1176.2-90.4-5.4109.1E128 I131 E196E128-R214 IonicContact OE1-CZ 2.77Å; E128-R214 IonicContact OE1-NH1 3.6Å; E128-R214 PolarHBondContact OE1-NH1 2.99Å; E128-R214 IonicContact OE1-NH2 2.86Å; E128-R214 IonicContact OE2-CZ 2.89Å; E128-R214 IonicContact OE2-NH1 3.92Å; E128-R214 PolarHBondContact OE2-NH1 2.9Å; E128-R214 IonicContact OE2-NH2 3.25Å; E128-R214 PolarHBondContact OE2-NH2 2.89Å; I131-R214 HydrophobicContact CG2-CG 4.21Å; E196-R214 VanDerWaalsContact CD-NH2 3.27Å; E196-R214 IonicContact OE1-CZ 2.61Å; E196-R214 VanDerWaalsContact OE1-CZ 3.25Å; E196-R214 IonicContact OE1-NE 3.78Å; E196-R214 PolarHBondContact OE1-NE 3.03Å; E196-R214 IonicContact OE1-NH2 2.76Å; E196-R214 PolarHBondContact OE1-NH2 3.21Å; E196-R214 IonicContact OE2-CZ 2.8Å; E196-R214 IonicContact OE2-NH2 3.49Å; E196-R214 PolarHBondContact OE2-NH2 3.32Å
215P78.3Confident85Confident91 Ų9192.8 Ų92.859%0.59149%0.491SS*.PPolyproline II helixtrans-62.8134175.825.3-31.9000109.6N217P215-N217 PolarHBondContact O-N 3.33Å
216P73.3Confident85Confident82 Ų8292.3 Ų92.353%0.53250%0.497SS..PPolyproline II helixtrans-61.6126177.322.7-31.1000110Y218P216-Y218 HydrophobicContact CB-CE2 4.22Å; P216-Y218 HydrophobicContact CG-CD2 4.45Å; P216-Y218 HydrophobicContact CG-CE1 4.41Å; P216-Y218 HydrophobicContact CG-CE2 3.6Å; P216-Y218 WeakPolarHBondContact CG-OH 3.49Å; P216-Y218 VanDerWaalsContact O-CD2 3.3Å; P216-Y218 WeakPolarHBondContact O-CD2 3.4Å; P216-Y218 PolarHBondContact O-N 3.09Å
217N77.6Confident85.1Confident121 Ų12195.6 Ų95.665%0.64751%0.513SS*.  trans-76.195.1175.4-176.2-9.4000109.5P215 A219 P221P215-N217 PolarHBondContact O-N 3.33Å; N217-A219 VanDerWaalsContact C-N 3.28Å; N217-A219 PolarHBondContact O-N 3.48Å; N217-A219 VanDerWaalsContact OD1-CB 3.28Å; N217-A219 WeakPolarHBondContact OD1-CB 3.49Å; N217-A219 PolarHBondContact OD1-N 2.92Å; N217-P221 WeakPolarHBondContact O-CD 3.13Å
218Y78Confident85.2Confident172 Ų17293 Ų9368%0.67550%0.499SS*.  trans-72.4-17.3177.3-65.3-74.5000113.9P216 G220 L222P216-Y218 HydrophobicContact CB-CE2 4.22Å; P216-Y218 HydrophobicContact CG-CD2 4.45Å; P216-Y218 HydrophobicContact CG-CE1 4.41Å; P216-Y218 HydrophobicContact CG-CE2 3.6Å; P216-Y218 WeakPolarHBondContact CG-OH 3.49Å; P216-Y218 VanDerWaalsContact O-CD2 3.3Å; P216-Y218 WeakPolarHBondContact O-CD2 3.4Å; P216-Y218 PolarHBondContact O-N 3.09Å; Y218-G220 VanDerWaalsContact C-N 3.32Å; Y218-G220 PolarHBondContact O-N 3.41Å; Y218-L222 WeakPolarHBondContact O-CB 3.3Å; Y218-L222 PolarHBondContact O-N 3.28Å
219A79.8Confident85.4Confident57 Ų5794.9 Ų94.947%0.47152%0.517SS..Hα-helixtrans-65.5-37.4-179.700000111.6N217 L222 M223N217-A219 VanDerWaalsContact C-N 3.28Å; N217-A219 PolarHBondContact O-N 3.48Å; N217-A219 VanDerWaalsContact OD1-CB 3.28Å; N217-A219 WeakPolarHBondContact OD1-CB 3.49Å; N217-A219 PolarHBondContact OD1-N 2.92Å; A219-L222 PolarHBondContact O-N 3.34Å; A219-M223 VanDerWaalsContact O-CB 3.32Å; A219-M223 WeakPolarHBondContact O-CB 3.35Å; A219-M223 WeakPolarHBondContact O-CG 3.18Å; A219-M223 PolarHBondContact O-N 2.9Å
220G81.4Confident85.4Confident40 Ų4093.1 Ų93.141%0.41251%0.51SS..Hα-helixtrans-61.6-58.8177.200000112.9Y218 L222 M223 L224Y218-G220 VanDerWaalsContact C-N 3.32Å; Y218-G220 PolarHBondContact O-N 3.41Å; G220-L222 VanDerWaalsContact C-N 3.29Å; G220-L222 PolarHBondContact O-N 3.45Å; G220-M223 PolarHBondContact O-N 3.36Å; G220-L224 WeakPolarHBondContact O-CB 3.32Å; G220-L224 PolarHBondContact O-N 2.99Å
221P85.4Confident85.3Confident86 Ų8697.1 Ų97.156%0.55853%0.531SS*.Hα-helixtrans-59-36.2175.7-26.335.3000113.6N217 L224 G225N217-P221 WeakPolarHBondContact O-CD 3.13Å; P221-L224 PolarHBondContact O-N 2.93Å; P221-G225 PolarHBondContact O-N 3.29Å
222L87.6Confident85.2Confident133 Ų13389.5 Ų89.570%0.69651%0.514SS*.Hα-helixtrans-65.9-46.4176.7-176.570.1000111.8Y218 A219 G220 L224 G225 L226Y218-L222 WeakPolarHBondContact O-CB 3.3Å; Y218-L222 PolarHBondContact O-N 3.28Å; A219-L222 PolarHBondContact O-N 3.34Å; G220-L222 VanDerWaalsContact C-N 3.29Å; G220-L222 PolarHBondContact O-N 3.45Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 2.68Å; L222-G225 PolarHBondContact O-N 3.48Å; L222-L226 WeakPolarHBondContact O-CB 3.43Å; L222-L226 PolarHBondContact O-N 2.96Å
223M84.4Confident85Confident118 Ų11889.4 Ų89.458%0.58152%0.52SS*.Hα-helixtrans-63.1-40.3176.2-72.6-98.972.600111.5A219 G220 L226 L227A219-M223 VanDerWaalsContact O-CB 3.32Å; A219-M223 WeakPolarHBondContact O-CB 3.35Å; A219-M223 WeakPolarHBondContact O-CG 3.18Å; A219-M223 PolarHBondContact O-N 2.9Å; G220-M223 PolarHBondContact O-N 3.36Å; M223-L226 HydrophobicContact CE-CD2 3.88Å; M223-L226 PolarHBondContact O-N 3.1Å; M223-L227 WeakPolarHBondContact O-CB 3.33Å; M223-L227 PolarHBondContact O-N 2.61Å
224L87.8Confident84.8Confident100 Ų10088.6 Ų88.652%0.52452%0.516SS..Hα-helixtrans-63.5-44.5174.2-179.163.7000111.5G220 P221 L222 L226 L227 L228G220-L224 WeakPolarHBondContact O-CB 3.32Å; G220-L224 PolarHBondContact O-N 2.99Å; P221-L224 PolarHBondContact O-N 2.93Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 2.68Å; L224-L226 PolarHBondContact O-N 2.92Å; L224-L227 PolarHBondContact O-N 3.2Å; L224-L228 HydrophobicContact CD1-CD1 4.39Å; L224-L228 HydrophobicContact CD1-CG 4.42Å; L224-L228 HydrophobicContact CG-CD1 4.18Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 VanDerWaalsContact O-CG 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.37Å; L224-L228 PolarHBondContact O-N 3.11Å
225G91.6Very high84.7Confident38 Ų3886.1 Ų86.139%0.39251%0.513SS..Hα-helixtrans-60.9-43.617600000112.3P221 L222 L228 A229P221-G225 PolarHBondContact O-N 3.29Å; L222-G225 PolarHBondContact O-N 3.48Å; G225-L228 PolarHBondContact O-N 2.84Å; G225-A229 WeakPolarHBondContact O-CB 3.46Å; G225-A229 PolarHBondContact O-N 3.2Å
226L90.2Very high84.8Confident105 Ų10590.1 Ų90.155%0.5552%0.517SS..Hα-helixtrans-62.5-45.6174.9-169.799000111.4L222 M223 L224 L228 A229 V230L222-L226 WeakPolarHBondContact O-CB 3.43Å; L222-L226 PolarHBondContact O-N 2.96Å; M223-L226 HydrophobicContact CE-CD2 3.88Å; M223-L226 PolarHBondContact O-N 3.1Å; L224-L226 PolarHBondContact O-N 2.92Å; L226-L228 PolarHBondContact O-N 3.05Å; L226-A229 PolarHBondContact O-N 2.76Å; L226-V230 WeakPolarHBondContact O-CG2 3.22Å; L226-V230 PolarHBondContact O-N 2.84Å
227L90.4Very high85.1Confident98 Ų9893.2 Ų93.251%0.51353%0.529SS..Hα-helixtrans-58.7-48177.3-176.873.5000110.9M223 L224 A229 V230 I231M223-L227 WeakPolarHBondContact O-CB 3.33Å; M223-L227 PolarHBondContact O-N 2.61Å; L224-L227 PolarHBondContact O-N 3.2Å; L227-A229 VanDerWaalsContact C-N 3.33Å; L227-A229 PolarHBondContact O-N 2.68Å; L227-V230 PolarHBondContact O-N 3.04Å; L227-I231 HydrophobicContact CD1-CD1 4.35Å; L227-I231 HydrophobicContact CD2-CD1 4.49Å; L227-I231 HydrophobicContact CG-CD1 3.95Å; L227-I231 VanDerWaalsContact O-CG1 3.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.26Å; L227-I231 PolarHBondContact O-N 3.48Å
228L90.7Very high84.8Confident105 Ų10594.5 Ų94.555%0.5552%0.524SS..Hα-helixtrans-64.1-37.4177.7-69.5173.5000112.1L224 G225 L226 G232L224-L228 HydrophobicContact CD1-CD1 4.39Å; L224-L228 HydrophobicContact CD1-CG 4.42Å; L224-L228 HydrophobicContact CG-CD1 4.18Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 VanDerWaalsContact O-CG 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.37Å; L224-L228 PolarHBondContact O-N 3.11Å; G225-L228 PolarHBondContact O-N 2.84Å; L226-L228 PolarHBondContact O-N 3.05Å; L228-G232 PolarHBondContact O-N 2.81Å
229A91.2Very high84.3Confident68 Ų6895.1 Ų95.156%0.56253%0.526SS*.Hα-helixtrans-66.5-39.1175.100000112G225 L226 L227 G233G225-A229 WeakPolarHBondContact O-CB 3.46Å; G225-A229 PolarHBondContact O-N 3.2Å; L226-A229 PolarHBondContact O-N 2.76Å; L227-A229 VanDerWaalsContact C-N 3.33Å; L227-A229 PolarHBondContact O-N 2.68Å; A229-G233 PolarHBondContact O-N 3.1Å
230V88.8Confident83.6Confident78 Ų7898.4 Ų98.447%0.47355%0.545SS..Hα-helixtrans-67.1-46.7175.4169.50000110.8L226 L227 G233 L234L226-V230 WeakPolarHBondContact O-CG2 3.22Å; L226-V230 PolarHBondContact O-N 2.84Å; L227-V230 PolarHBondContact O-N 3.04Å; V230-G233 PolarHBondContact O-N 3.05Å; V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 WeakPolarHBondContact O-CB 3.35Å; V230-L234 PolarHBondContact O-N 2.91Å
231I86.5Confident82.8Confident88 Ų8899.9 Ų99.945%0.45154%0.543SS..Hα-helixtrans-61.7-48176.6-65.8171.6000109.9L227 G233 L234 V235L227-I231 HydrophobicContact CD1-CD1 4.35Å; L227-I231 HydrophobicContact CD2-CD1 4.49Å; L227-I231 HydrophobicContact CG-CD1 3.95Å; L227-I231 VanDerWaalsContact O-CG1 3.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.26Å; L227-I231 PolarHBondContact O-N 3.48Å; I231-G233 VanDerWaalsContact C-N 3.35Å; I231-G233 PolarHBondContact O-N 2.8Å; I231-L234 PolarHBondContact O-N 3.39Å; I231-V235 HydrophobicContact CG2-CG2 4.47Å; I231-V235 VanDerWaalsContact O-CG2 3.29Å; I231-V235 WeakPolarHBondContact O-CG2 3.34Å; I231-V235 PolarHBondContact O-N 3.37Å
232G85.8Confident81.9Confident39 Ų3999.1 Ų99.140%0.40253%0.533SS..Hα-helixtrans-61-41.5177.300000112.7L228 V235 Y236L228-G232 PolarHBondContact O-N 2.81Å; G232-V235 PolarHBondContact O-N 2.72Å; G232-Y236 VanDerWaalsContact O-CB 3.31Å; G232-Y236 WeakPolarHBondContact O-CB 3.34Å; G232-Y236 PolarHBondContact O-N 2.77Å
233G85.9Confident81Confident30 Ų30100 Ų10031%0.30953%0.534SS..Hα-helixtrans-64.6-44175.300000112.7A229 V230 I231 Y236 L237A229-G233 PolarHBondContact O-N 3.1Å; V230-G233 PolarHBondContact O-N 3.05Å; I231-G233 VanDerWaalsContact C-N 3.35Å; I231-G233 PolarHBondContact O-N 2.8Å; G233-Y236 PolarHBondContact O-N 3.48Å; G233-L237 WeakPolarHBondContact O-CB 3.19Å; G233-L237 VanDerWaalsContact O-CG 3.29Å; G233-L237 WeakPolarHBondContact O-CG 3.5Å; G233-L237 PolarHBondContact O-N 3.31Å
234L81.3Confident80.2Confident103 Ų103101.7 Ų101.754%0.53954%0.538SS..Hα-helixtrans-60.8-45.3174-98.5147.7000111.7V230 I231 R238V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 WeakPolarHBondContact O-CB 3.35Å; V230-L234 PolarHBondContact O-N 2.91Å; I231-L234 PolarHBondContact O-N 3.39Å; L234-R238 WeakPolarHBondContact O-CB 3.29Å; L234-R238 WeakPolarHBondContact O-CG 3.4Å; L234-R238 PolarHBondContact O-N 2.91Å
235V81.8Confident79.5Confident57 Ų5799.8 Ų99.835%0.34553%0.528SS..Hα-helixtrans-64.9-39.8176.9171.80000111.4I231 G232 R238 R239I231-V235 HydrophobicContact CG2-CG2 4.47Å; I231-V235 VanDerWaalsContact O-CG2 3.29Å; I231-V235 WeakPolarHBondContact O-CG2 3.34Å; I231-V235 PolarHBondContact O-N 3.37Å; G232-V235 PolarHBondContact O-N 2.72Å; V235-R238 CarbonylContact O-C 3.58Å; V235-R239 WeakPolarHBondContact O-CA 3.47Å; V235-R239 PolarHBondContact O-N 2.9Å
236Y81.9Confident78.8Confident174 Ų174105.7 Ų105.768%0.68254%0.543SS*.Hα-helixtrans-66.2-47.2177.4-178-97.8000112.1G232 G233 R239G232-Y236 VanDerWaalsContact O-CB 3.31Å; G232-Y236 WeakPolarHBondContact O-CB 3.34Å; G232-Y236 PolarHBondContact O-N 2.77Å; G233-Y236 PolarHBondContact O-N 3.48Å; Y236-R239 VanDerWaalsContact O-CB 3.3Å; Y236-R239 WeakPolarHBondContact O-CB 3.35Å; Y236-R239 PolarHBondContact O-N 3.35Å
237L78.3Confident78.5Confident147 Ų147103.9 Ų103.977%0.7753%0.534SS*.Hα-helixtrans-68.9-32.9178.3-68.3173.3000112.7G233G233-L237 WeakPolarHBondContact O-CB 3.19Å; G233-L237 VanDerWaalsContact O-CG 3.29Å; G233-L237 WeakPolarHBondContact O-CG 3.5Å; G233-L237 PolarHBondContact O-N 3.31Å
238R72.3Confident78.3Confident148 Ų148107.8 Ų107.856%0.55855%0.547SS*.THydrogen-bonded Turntrans-95.217.6177.6-67-68.7-144.6149.66.4113.3L234 V235 S240 N241L234-R238 WeakPolarHBondContact O-CB 3.29Å; L234-R238 WeakPolarHBondContact O-CG 3.4Å; L234-R238 PolarHBondContact O-N 2.91Å; V235-R238 CarbonylContact O-C 3.58Å; R238-S240 PolarHBondContact O-N 3.04Å; R238-N241 PolarHBondContact NH1-ND2 2.86Å; R238-N241 VanDerWaalsContact NH1-ND2 3.2Å; R238-N241 CarbonylContact O-C 3.53Å; R238-N241 PolarHBondContact O-N 3.25Å
239R67.9Low78.1Confident186 Ų186107.6 Ų107.670%0.70255%0.551SS**THydrogen-bonded Turntrans-54.2-28.7-177.3-173.6171.9-174.485.60.2114V235 Y236 M242V235-R239 WeakPolarHBondContact O-CA 3.47Å; V235-R239 PolarHBondContact O-N 2.9Å; Y236-R239 VanDerWaalsContact O-CB 3.3Å; Y236-R239 WeakPolarHBondContact O-CB 3.35Å; Y236-R239 PolarHBondContact O-N 3.35Å; R239-M242 WeakPolarHBondContact O-CG 3.08Å
240S65.1Low77.8Confident125 Ų125105.6 Ų105.687%0.87454%0.536SS*.THydrogen-bonded Turntrans-83.6-12.8176.9-171.40000114.5R238R238-S240 PolarHBondContact O-N 3.04Å
241N64.4Low77.8Confident71 Ų71109 Ų10938%0.3854%0.541SS..  trans-125.249.7-173.2-155.842.9000111.6R238 E243R238-N241 PolarHBondContact NH1-ND2 2.86Å; R238-N241 VanDerWaalsContact NH1-ND2 3.2Å; R238-N241 CarbonylContact O-C 3.53Å; R238-N241 PolarHBondContact O-N 3.25Å; N241-E243 PolarHBondContact O-N 2.65Å; N241-E243 VanDerWaalsContact O-N 3.09Å
242M65.7Low77.9Confident70 Ų70107.7 Ų107.735%0.34554%0.543SS..THydrogen-bonded Turntrans-68.5-1.2-177.2-64-71.7-73.700113.7R239 F244 L245 F246R239-M242 WeakPolarHBondContact O-CG 3.08Å; M242-F244 PolarHBondContact O-N 2.97Å; M242-L245 HydrophobicContact CE-CD1 3.37Å; M242-L245 PolarHBondContact O-N 3.38Å; M242-L245 HydrophobicContact SD-CD1 3.71Å; M242-F246 HydrophobicContact CB-CD2 4.44Å; M242-F246 HydrophobicContact CB-CE2 4.14Å; M242-F246 VanDerWaalsContact O-CD2 3.27Å; M242-F246 WeakPolarHBondContact O-CD2 3.39Å; M242-F246 PolarHBondContact O-N 3.09Å
243E68.9Low78Confident153 Ų153112.5 Ų112.572%0.71555%0.553SS**Hα-helixtrans-56.5-32.6178.4-62-174.1169.800112.7N241 L245 F246 N247N241-E243 PolarHBondContact O-N 2.65Å; N241-E243 VanDerWaalsContact O-N 3.09Å; E243-L245 VanDerWaalsContact C-N 3.32Å; E243-L245 PolarHBondContact O-N 3.25Å; E243-F246 PolarHBondContact O-N 3.12Å; E243-N247 PolarHBondContact O-N 3.5Å; E243-N247 VanDerWaalsContact O-N 3.14Å
244F68.3Low78.2Confident153 Ų153113.5 Ų113.567%0.67156%0.558SS**Hα-helixtrans-60.9-38.7175.1177.6-100.8000112.7M242 F246 N247M242-F244 PolarHBondContact O-N 2.97Å; F244-F246 VanDerWaalsContact C-N 3.32Å; F244-F246 PolarHBondContact O-N 3.4Å; F244-N247 PolarHBondContact O-N 3.5Å
245L72.6Confident78.7Confident60 Ų60111.2 Ų111.231%0.31455%0.554SS.*Hα-helixtrans-75.1-21.2-179.9-73.4166.7000112.7M242 E243 W251M242-L245 HydrophobicContact CE-CD1 3.37Å; M242-L245 PolarHBondContact O-N 3.38Å; M242-L245 HydrophobicContact SD-CD1 3.71Å; E243-L245 VanDerWaalsContact C-N 3.32Å; E243-L245 PolarHBondContact O-N 3.25Å; L245-W251 HydrophobicContact CD2-CZ2 3.84Å; L245-W251 PolarHBondContact O-NE1 2.74Å
246F77.6Confident79.2Confident161 Ų161111.6 Ų111.671%0.70655%0.554SS**Hα-helixtrans-93.9-5.5175.2-66.1-70.7000113.1M242 E243 F244 K248M242-F246 HydrophobicContact CB-CD2 4.44Å; M242-F246 HydrophobicContact CB-CE2 4.14Å; M242-F246 VanDerWaalsContact O-CD2 3.27Å; M242-F246 WeakPolarHBondContact O-CD2 3.39Å; M242-F246 PolarHBondContact O-N 3.09Å; E243-F246 PolarHBondContact O-N 3.12Å; F244-F246 VanDerWaalsContact C-N 3.32Å; F244-F246 PolarHBondContact O-N 3.4Å; F246-K248 PolarHBondContact O-N 3.33Å
247N83.8Confident79.7Confident67 Ų67106 Ų10636%0.35854%0.54SS..  trans-71.2100.7179.2-174.34.3000111.6E243 F244 T249 G250 W251E243-N247 PolarHBondContact O-N 3.5Å; E243-N247 VanDerWaalsContact O-N 3.14Å; F244-N247 PolarHBondContact O-N 3.5Å; N247-T249 VanDerWaalsContact CG-OG1 3.28Å; N247-T249 PolarHBondContact ND2-OG1 3.02Å; N247-T249 PolarHBondContact O-N 3.12Å; N247-T249 PolarHBondContact OD1-N 3.3Å; N247-T249 VanDerWaalsContact OD1-N 3.07Å; N247-T249 PolarHBondContact OD1-OG1 2.83Å; N247-G250 PolarHBondContact O-N 3.3Å; N247-G250 VanDerWaalsContact O-N 3.14Å; N247-W251 VanDerWaalsContact O-CD1 3.27Å; N247-W251 PolarHBondContact O-N 2.84Å
248K86.2Confident80.3Confident180 Ų180105 Ų10578%0.78353%0.53SS*.Hα-helixtrans-56.5-35.3177.3-65.4-179.4-178.2176.30112.8F246 W251 A252F246-K248 PolarHBondContact O-N 3.33Å; K248-W251 PolarHBondContact O-N 3.39Å; K248-A252 WeakPolarHBondContact O-CB 3.33Å; K248-A252 PolarHBondContact O-N 3.3Å
249T86.2Confident81.3Confident102 Ų102101.9 Ų101.963%0.62653%0.527SS*.Hα-helixtrans-69.5-37.8179.263.60000111.9N247 A252 F253N247-T249 VanDerWaalsContact CG-OG1 3.28Å; N247-T249 PolarHBondContact ND2-OG1 3.02Å; N247-T249 PolarHBondContact O-N 3.12Å; N247-T249 PolarHBondContact OD1-N 3.3Å; N247-T249 VanDerWaalsContact OD1-N 3.07Å; N247-T249 PolarHBondContact OD1-OG1 2.83Å; T249-A252 PolarHBondContact O-N 3.11Å; T249-F253 WeakPolarHBondContact O-CB 3.45Å; T249-F253 PolarHBondContact O-N 3.09Å
250G85.1Confident82.6Confident25 Ų2594 Ų9426%0.25850%0.498SS..Hα-helixtrans-62.8-44.1174.800000112.3N247 F253 A254N247-G250 PolarHBondContact O-N 3.3Å; N247-G250 VanDerWaalsContact O-N 3.14Å; G250-F253 PolarHBondContact O-N 3.46Å; G250-A254 WeakPolarHBondContact O-CB 3.33Å; G250-A254 PolarHBondContact O-N 3.22Å
251W88.1Confident83.7Confident149 Ų14989.5 Ų89.556%0.56447%0.469SS*.Hα-helixtrans-67.5-39.7175.2-72.1108.5000113.2L245 N247 K248 F253 A254 A255L245-W251 HydrophobicContact CD2-CZ2 3.84Å; L245-W251 PolarHBondContact O-NE1 2.74Å; N247-W251 VanDerWaalsContact O-CD1 3.27Å; N247-W251 PolarHBondContact O-N 2.84Å; K248-W251 PolarHBondContact O-N 3.39Å; W251-F253 VanDerWaalsContact C-N 3.34Å; W251-A254 PolarHBondContact O-N 3.44Å; W251-A255 VanDerWaalsContact O-CB 3.29Å; W251-A255 WeakPolarHBondContact O-CB 3.38Å; W251-A255 PolarHBondContact O-N 3.37Å
252A88.6Confident85Confident61 Ų6190.4 Ų90.450%0.50447%0.472SS..Hα-helixtrans-61.3-44174.900000111.3K248 T249 A255 L256K248-A252 WeakPolarHBondContact O-CB 3.33Å; K248-A252 PolarHBondContact O-N 3.3Å; T249-A252 PolarHBondContact O-N 3.11Å; A252-A255 PolarHBondContact O-N 3.37Å; A252-L256 WeakPolarHBondContact O-CB 3.45Å; A252-L256 PolarHBondContact O-N 3.06Å
253F88.9Confident86.2Confident141 Ų14191.2 Ų91.262%0.61848%0.481SS*.Hα-helixtrans-64.3-44.6175.7-177.4-100.8000112.2T249 G250 W251 A255 L256 C257T249-F253 WeakPolarHBondContact O-CB 3.45Å; T249-F253 PolarHBondContact O-N 3.09Å; G250-F253 PolarHBondContact O-N 3.46Å; W251-F253 VanDerWaalsContact C-N 3.34Å; F253-A255 PolarHBondContact O-N 3.26Å; F253-L256 PolarHBondContact O-N 3.5Å; F253-C257 PolarHBondContact O-N 3.3Å; F253-C257 PolarHBondContact O-SG 3.07Å; F253-C257 VanDerWaalsContact O-SG 3.4Å
254A88.9Confident87.2Confident50 Ų5084.1 Ų84.141%0.41345%0.448SS..Hα-helixtrans-62.1-43.117700000112.2G250 W251 C257 F258G250-A254 WeakPolarHBondContact O-CB 3.33Å; G250-A254 PolarHBondContact O-N 3.22Å; W251-A254 PolarHBondContact O-N 3.44Å; A254-C257 PolarHBondContact O-N 3.27Å; A254-F258 PolarHBondContact O-N 3.5Å
255A92.9Very high88.2Confident55 Ų5577.6 Ų77.646%0.45542%0.424SS..Hα-helixtrans-63.1-42.4175.700000111.6W251 A252 F253 F258 V259W251-A255 VanDerWaalsContact O-CB 3.29Å; W251-A255 WeakPolarHBondContact O-CB 3.38Å; W251-A255 PolarHBondContact O-N 3.37Å; A252-A255 PolarHBondContact O-N 3.37Å; F253-A255 PolarHBondContact O-N 3.26Å; A255-F258 PolarHBondContact O-N 2.96Å; A255-V259 WeakPolarHBondContact O-CG2 3.42Å; A255-V259 PolarHBondContact O-N 3.49Å
256L92.1Very high88.9Confident66 Ų6677.6 Ų77.635%0.34642%0.422SS..Hα-helixtrans-61-48.1175.8-17667.6000111.4A252 F253 F258 V259 L260A252-L256 WeakPolarHBondContact O-CB 3.45Å; A252-L256 PolarHBondContact O-N 3.06Å; F253-L256 PolarHBondContact O-N 3.5Å; L256-F258 VanDerWaalsContact C-N 3.29Å; L256-F258 PolarHBondContact O-N 2.95Å; L256-V259 PolarHBondContact O-N 3.33Å; L256-L260 HydrophobicContact CD1-CD1 4.47Å; L256-L260 HydrophobicContact CG-CD1 4.05Å; L256-L260 HydrophobicContact CG-CG 4.48Å; L256-L260 WeakPolarHBondContact O-CB 3.35Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.32Å; L256-L260 PolarHBondContact O-N 2.84Å
257C91Very high89.4Confident56 Ų5675.1 Ų75.138%0.37841%0.414SS..Hα-helixtrans-57.5-41.2175.8-75.10000112.2F253 A254 A261F253-C257 PolarHBondContact O-N 3.3Å; F253-C257 PolarHBondContact O-SG 3.07Å; F253-C257 VanDerWaalsContact O-SG 3.4Å; A254-C257 PolarHBondContact O-N 3.27Å; C257-A261 WeakPolarHBondContact O-CB 3.22Å; C257-A261 PolarHBondContact O-N 3.35Å
258F92.3Very high89.5Confident127 Ų12775.4 Ų75.456%0.55741%0.411SS*.Hα-helixtrans-64.5-46.8177-179.3-98.3000112.3A254 A255 L256 L260 A261 M262A254-F258 PolarHBondContact O-N 3.5Å; A255-F258 PolarHBondContact O-N 2.96Å; L256-F258 VanDerWaalsContact C-N 3.29Å; L256-F258 PolarHBondContact O-N 2.95Å; F258-L260 PolarHBondContact O-N 3.42Å; F258-A261 PolarHBondContact O-N 3.32Å; F258-M262 HydrophobicContact CD1-CG 4.35Å; F258-M262 HydrophobicContact CD2-CE 4.22Å; F258-M262 HydrophobicContact CE1-CG 3.96Å; F258-M262 HydrophobicContact CE2-CE 3.41Å; F258-M262 VanDerWaalsContact CE2-CE 3.41Å; F258-M262 HydrophobicContact CE2-CG 4.18Å; F258-M262 HydrophobicContact CZ-CE 3.66Å; F258-M262 HydrophobicContact CZ-CG 3.87Å; F258-M262 HydrophobicContact CZ-SD 4.49Å; F258-M262 WeakPolarHBondContact O-CG 3.43Å; F258-M262 PolarHBondContact O-N 2.94Å
259V93.6Very high89.6Confident81 Ų8167.4 Ų67.449%0.49138%0.376SS..Hα-helixtrans-62.3-43.4177.7172.30000111A255 L256 M262 T263A255-V259 WeakPolarHBondContact O-CG2 3.42Å; A255-V259 PolarHBondContact O-N 3.49Å; L256-V259 PolarHBondContact O-N 3.33Å; V259-M262 PolarHBondContact O-N 2.93Å; V259-T263 HydrophobicContact CG1-CG2 4.21Å; V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 VanDerWaalsContact O-CG2 3.28Å; V259-T263 WeakPolarHBondContact O-CG2 3.48Å; V259-T263 PolarHBondContact O-N 2.96Å; V259-T263 PolarHBondContact O-OG1 3.25Å
260L93.4Very high89.3Confident21 Ų2170 Ų7011%0.1138%0.381CS..Hα-helixtrans-61.3-45.1176.1-73.7174.7000111.6L256 F258 M262 T263 S264 L305 N308 T312L256-L260 HydrophobicContact CD1-CD1 4.47Å; L256-L260 HydrophobicContact CG-CD1 4.05Å; L256-L260 HydrophobicContact CG-CG 4.48Å; L256-L260 WeakPolarHBondContact O-CB 3.35Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.32Å; L256-L260 PolarHBondContact O-N 2.84Å; F258-L260 PolarHBondContact O-N 3.42Å; L260-M262 PolarHBondContact O-N 3.12Å; L260-T263 WeakPolarHBondContact CA-OG1 3.22Å; L260-T263 PolarHBondContact O-N 3.2Å; L260-T263 PolarHBondContact O-OG1 3.12Å; L260-T263 VanDerWaalsContact O-OG1 3.13Å; L260-S264 WeakPolarHBondContact O-CB 3.3Å; L260-S264 PolarHBondContact O-N 3.47Å; L260-S264 VanDerWaalsContact O-N 3.12Å; L260-S264 PolarHBondContact O-OG 3.36Å; L260-L305 HydrophobicContact CB-CD1 3.63Å; L260-L305 WeakPolarHBondContact O-CD1 3.48Å; L260-N308 HydrophobicContact CD2-CB 3.76Å; L260-T312 HydrophobicContact CD2-CG2 4.01Å
261A89.9Confident89Confident30 Ų3074.2 Ų74.225%0.24840%0.396CS..Hα-helixtrans-59.8-45.7176.100000111.6C257 F258 S264 Q266C257-A261 WeakPolarHBondContact O-CB 3.22Å; C257-A261 PolarHBondContact O-N 3.35Å; F258-A261 PolarHBondContact O-N 3.32Å; A261-S264 PolarHBondContact O-N 2.94Å; A261-S264 PolarHBondContact O-OG 2.98Å; A261-Q266 WeakPolarHBondContact O-CB 3Å; A261-Q266 WeakPolarHBondContact O-CG 3.49Å
262M90.3Very high88.4Confident90 Ų9073.9 Ų73.944%0.44340%0.395SS..Hα-helixtrans-70.2-36.9-178.3-69.3-60167.300113.2F258 V259 L260 S264F258-M262 HydrophobicContact CD1-CG 4.35Å; F258-M262 HydrophobicContact CD2-CE 4.22Å; F258-M262 HydrophobicContact CE1-CG 3.96Å; F258-M262 HydrophobicContact CE2-CE 3.41Å; F258-M262 VanDerWaalsContact CE2-CE 3.41Å; F258-M262 HydrophobicContact CE2-CG 4.18Å; F258-M262 HydrophobicContact CZ-CE 3.66Å; F258-M262 HydrophobicContact CZ-CG 3.87Å; F258-M262 HydrophobicContact CZ-SD 4.49Å; F258-M262 WeakPolarHBondContact O-CG 3.43Å; F258-M262 PolarHBondContact O-N 2.94Å; V259-M262 PolarHBondContact O-N 2.93Å; L260-M262 PolarHBondContact O-N 3.12Å; M262-S264 VanDerWaalsContact C-N 3.35Å
263T91.4Very high87.9Confident88 Ų8873.3 Ų73.354%0.5440%0.395SS..Hα-helixtrans-75.4-20.7179.251.70000113.7V259 L260 G265V259-T263 HydrophobicContact CG1-CG2 4.21Å; V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 VanDerWaalsContact O-CG2 3.28Å; V259-T263 WeakPolarHBondContact O-CG2 3.48Å; V259-T263 PolarHBondContact O-N 2.96Å; V259-T263 PolarHBondContact O-OG1 3.25Å; L260-T263 WeakPolarHBondContact CA-OG1 3.22Å; L260-T263 PolarHBondContact O-N 3.2Å; L260-T263 PolarHBondContact O-OG1 3.12Å; L260-T263 VanDerWaalsContact O-OG1 3.13Å; T263-G265 VanDerWaalsContact C-N 3.29Å; T263-G265 PolarHBondContact O-N 3.25Å
264S90.4Very high87.6Confident4 Ų467.8 Ų67.83%0.02837%0.373CS..THydrogen-bonded Turntrans-73.9-12.8179.467.50000115.3L260 A261 M262 Q296 T301L260-S264 WeakPolarHBondContact O-CB 3.3Å; L260-S264 PolarHBondContact O-N 3.47Å; L260-S264 VanDerWaalsContact O-N 3.12Å; L260-S264 PolarHBondContact O-OG 3.36Å; A261-S264 PolarHBondContact O-N 2.94Å; A261-S264 PolarHBondContact O-OG 2.98Å; M262-S264 VanDerWaalsContact C-N 3.35Å; S264-Q296 PolarHBondContact O-NE2 3.46Å; S264-Q296 VanDerWaalsContact O-NE2 3.11Å; S264-T301 WeakPolarHBondContact CB-O 3.38Å; S264-T301 WeakPolarHBondContact O-CG2 3.39Å; S264-T301 VanDerWaalsContact OG-CG2 3.27Å; S264-T301 WeakPolarHBondContact OG-CG2 2.79Å
265G88.1Confident87.2Confident16 Ų1668.7 Ų68.717%0.16538%0.375CS..THydrogen-bonded Turntrans102.813.5-177.900000115.2T263 M267 W268 N269T263-G265 VanDerWaalsContact C-N 3.29Å; T263-G265 PolarHBondContact O-N 3.25Å; G265-M267 VanDerWaalsContact C-N 3.27Å; G265-M267 PolarHBondContact O-N 3.16Å; G265-W268 WeakPolarHBondContact O-CB 3.44Å; G265-W268 PolarHBondContact O-N 2.9Å; G265-W268 VanDerWaalsContact O-N 3.09Å; G265-N269 PolarHBondContact O-N 3.42Å
266Q88.5Confident86.6Confident60 Ų6072.3 Ų72.328%0.2838%0.378SS..Hα-helixtrans-57.1-37179.9-71.2-66.2-800113.5A261 W268 N269 H270 T301A261-Q266 WeakPolarHBondContact O-CB 3Å; A261-Q266 WeakPolarHBondContact O-CG 3.49Å; Q266-W268 VanDerWaalsContact C-N 3.33Å; Q266-W268 PolarHBondContact O-N 3.05Å; Q266-N269 PolarHBondContact O-N 2.84Å; Q266-H270 PolarHBondContact O-N 2.75Å; Q266-T301 HydrophobicContact CB-CG2 4.4Å; Q266-T301 HydrophobicContact CG-CG2 3.61Å
267M87.6Confident86.1Confident109 Ų10970.5 Ų70.554%0.53737%0.372SS..Hα-helixtrans-66.1-36.8178.4-169.561.7167.600112.1G265 H270 I271G265-M267 VanDerWaalsContact C-N 3.27Å; G265-M267 PolarHBondContact O-N 3.16Å; M267-H270 PolarHBondContact O-N 3.12Å; M267-I271 HydrophobicContact CE-CD1 4.3Å; M267-I271 HydrophobicContact CG-CD1 4.1Å; M267-I271 VanDerWaalsContact O-CG1 3.32Å; M267-I271 WeakPolarHBondContact O-CG1 3.49Å; M267-I271 PolarHBondContact O-N 3.13Å
268W86.7Confident85.3Confident73 Ų7371.5 Ų71.528%0.27737%0.371SS..Hα-helixtrans-64.3-42.8176-173.598.2000110.9G265 Q266 H270 I271 R272 P274 A295 Q296G265-W268 WeakPolarHBondContact O-CB 3.44Å; G265-W268 PolarHBondContact O-N 2.9Å; G265-W268 VanDerWaalsContact O-N 3.09Å; Q266-W268 VanDerWaalsContact C-N 3.33Å; Q266-W268 PolarHBondContact O-N 3.05Å; W268-H270 PolarHBondContact O-N 3.48Å; W268-I271 PolarHBondContact O-N 3.46Å; W268-R272 PolarHBondContact O-N 2.77Å; W268-P274 HydrophobicContact CE3-CG 4.42Å; W268-P274 HydrophobicContact CZ3-CB 4.04Å; W268-P274 HydrophobicContact CZ3-CG 3.77Å; W268-A295 HydrophobicContact CH2-CB 4.25Å; W268-Q296 HydrophobicContact CE3-CB 4.01Å; W268-Q296 HydrophobicContact CH2-CB 4.28Å; W268-Q296 HydrophobicContact CZ3-CB 3.79Å; W268-Q296 WeakPolarHBondContact CZ3-O 3.2Å
269N86.7Confident84.4Confident11 Ų1172.4 Ų72.46%0.05938%0.375CS..Hα-helixtrans-62-43.1174.7-69.4-14.4000112.2G265 Q266 I271 G273 P274 T301G265-N269 PolarHBondContact O-N 3.42Å; Q266-N269 PolarHBondContact O-N 2.84Å; N269-I271 VanDerWaalsContact C-N 3.32Å; N269-I271 PolarHBondContact O-N 3.45Å; N269-G273 WeakPolarHBondContact O-CA 3.19Å; N269-G273 PolarHBondContact O-N 3.45Å; N269-P274 HydrophobicContact CB-CG 4.38Å; N269-P274 WeakPolarHBondContact O-CD 3.48Å; N269-T301 WeakPolarHBondContact ND2-CB 3.49Å; N269-T301 PolarHBondContact ND2-OG1 2.83Å
270H81.4Confident83.2Confident157 Ų15770.9 Ų70.973%0.72736%0.364SS*.Hα-helixtrans-62.2-40179.3179.8-91.1000112Q266 M267 W268Q266-H270 PolarHBondContact O-N 2.75Å; M267-H270 PolarHBondContact O-N 3.12Å; W268-H270 PolarHBondContact O-N 3.48Å
271I77.9Confident81.8Confident113 Ų11375 Ų7558%0.57939%0.392SS*.Hα-helixtrans-73.5-44.3-179.1-65.9167.2000111.8M267 W268 N269M267-I271 HydrophobicContact CE-CD1 4.3Å; M267-I271 HydrophobicContact CG-CD1 4.1Å; M267-I271 VanDerWaalsContact O-CG1 3.32Å; M267-I271 WeakPolarHBondContact O-CG1 3.49Å; M267-I271 PolarHBondContact O-N 3.13Å; W268-I271 PolarHBondContact O-N 3.46Å; N269-I271 VanDerWaalsContact C-N 3.32Å; N269-I271 PolarHBondContact O-N 3.45Å
272R75.6Confident80.4Confident142 Ų14282 Ų8254%0.53642%0.419SS..Hα-helixtrans-96.4-19.5-171.2-69.3-164.1175.9-172.90.3114.9W268W268-R272 PolarHBondContact O-N 2.77Å
273G78.3Confident79.3Confident50 Ų5081.6 Ų81.652%0.51542%0.422SS..  trans56.950.4-179.700000114.5N269N269-G273 WeakPolarHBondContact O-CA 3.19Å; N269-G273 PolarHBondContact O-N 3.45Å
274P82.6Confident78.3Confident24 Ų2480.1 Ų80.116%0.15642%0.424CS..  trans-64.1157.7178.234.1-40.7000111.7W268 N269 Q296 V298W268-P274 HydrophobicContact CE3-CG 4.42Å; W268-P274 HydrophobicContact CZ3-CB 4.04Å; W268-P274 HydrophobicContact CZ3-CG 3.77Å; N269-P274 HydrophobicContact CB-CG 4.38Å; N269-P274 WeakPolarHBondContact O-CD 3.48Å; P274-Q296 WeakPolarHBondContact CB-O 3.45Å; P274-V298 HydrophobicContact CG-CG2 3.94Å
275P80.5Confident77.3Confident69 Ų6986.3 Ų86.345%0.44845%0.453SS..  trans-64.8156.8171.828.8-34.4000111.4F297P275-F297 HydrophobicContact CG-CD1 4.14Å; P275-F297 HydrophobicContact CG-CE1 4.04Å; P275-F297 WeakPolarHBondContact O-CD1 3.28Å
276Y80.8Confident76.6Confident132 Ų13288 Ų8852%0.51846%0.46SS..SBendtrans-67.3-41.9-177.6-174.7-91.8000113.4V298 A299Y276-V298 HydrophobicContact CD2-CB 3.79Å; Y276-V298 HydrophobicContact CD2-CG1 3.87Å; Y276-V298 HydrophobicContact CE2-CB 4.43Å; Y276-V298 HydrophobicContact CE2-CG1 4.2Å; Y276-V298 HydrophobicContact CG-CB 4.49Å; Y276-A299 HydrophobicContact CD1-CB 4.25Å; Y276-A299 HydrophobicContact CE1-CB 3.84Å; Y276-A299 HydrophobicContact CE2-CB 4.38Å; Y276-A299 WeakPolarHBondContact O-CB 3.27Å; Y276-A299 PolarHBondContact O-N 2.91Å
277A80.2Confident76.1Confident27 Ų2788.9 Ų88.922%0.22347%0.466CS..  trans-153.3157.2174.100000109V286 Y288A277-V286 HydrophobicContact CB-CG1 3.64Å; A277-Y288 HydrophobicContact CB-CD1 4.15Å; A277-Y288 HydrophobicContact CB-CE1 4.41Å
278H75.3Confident75.8Confident78 Ų7889.7 Ų89.736%0.36146%0.464SS..EExtended strand (participates in β ladder)trans-110.9130.5177.1-167.577.7000110.3N287 F297H278-N287 PolarHBondContact N-O 3.01Å; H278-N287 PolarHBondContact O-N 2.95Å; H278-F297 HydrophobicContact CB-CE1 3.77Å; H278-F297 HydrophobicContact CB-CE2 4.09Å; H278-F297 HydrophobicContact CB-CZ 3.32Å
279K72.8Confident75.5Confident146 Ų14688.9 Ų88.964%0.63547%0.465SS*.EExtended strand (participates in β ladder)trans-89.9124.2174.7-61.8-168.1176.8-178.60108.2P281 V286K279-P281 VanDerWaalsContact O-CD 3.29Å; K279-P281 WeakPolarHBondContact O-CD 3.4Å; K279-V286 HydrophobicContact CG-CG2 4.17Å
280N69.4Low75.2Confident49 Ų4991 Ų9126%0.26247%0.474SS..  trans-67.9119.5176.7-171.4-20.6000109.2H282 T283 G284 H285N280-H282 PolarHBondContact O-N 3.32Å; N280-H282 PolarHBondContact OD1-N 2.95Å; N280-T283 WeakPolarHBondContact CB-OG1 3.48Å; N280-T283 PolarHBondContact ND2-OG1 3.06Å; N280-T283 PolarHBondContact O-N 3.03Å; N280-G284 PolarHBondContact O-N 3.36Å; N280-H285 PolarHBondContact N-O 3.34Å
281P62.6Low75Confident106 Ų10686.4 Ų86.469%0.68847%0.469SS*.THydrogen-bonded Turntrans-61.9-25.3-175.9-22.733.1000114.1K279K279-P281 VanDerWaalsContact O-CD 3.29Å; K279-P281 WeakPolarHBondContact O-CD 3.4Å
282H62.1Low75Confident179 Ų17983.1 Ų83.183%0.82946%0.457SS*.THydrogen-bonded Turntrans-93-27.8-175.3-67.1-72.8000113.8N280N280-H282 PolarHBondContact O-N 3.32Å; N280-H282 PolarHBondContact OD1-N 2.95Å
283T67.3Low75.1Confident80 Ų8078.9 Ų78.949%0.49145%0.448SS..THydrogen-bonded Turntrans-116.8-9.1-173.964.80000113.5N280 H285N280-T283 WeakPolarHBondContact CB-OG1 3.48Å; N280-T283 PolarHBondContact ND2-OG1 3.06Å; N280-T283 PolarHBondContact O-N 3.03Å; T283-H285 PolarHBondContact O-CD2 3.33Å; T283-H285 VanDerWaalsContact O-CD2 3.26Å; T283-H285 PolarHBondContact O-N 2.97Å
284G69.4Low75.1Confident58 Ų5883.9 Ų83.960%0.59846%0.458SS*.  trans69.4-7.817900000115N280N280-G284 PolarHBondContact O-N 3.36Å
285H69.9Low75Confident134 Ų13483.9 Ų83.962%0.6246%0.46SS*.  trans-73.4140.6177.5-67.2-73.5000111.6N280 T283N280-H285 PolarHBondContact N-O 3.34Å; T283-H285 PolarHBondContact O-CD2 3.33Å; T283-H285 VanDerWaalsContact O-CD2 3.26Å; T283-H285 PolarHBondContact O-N 2.97Å
286V72.6Confident75.1Confident52 Ų5282.2 Ų82.232%0.31545%0.447SS..EExtended strand (participates in β ladder)trans-85.1113.2177.2-1720000108.4A277 K279 Y288A277-V286 HydrophobicContact CB-CG1 3.64Å; K279-V286 HydrophobicContact CG-CG2 4.17Å; V286-Y288 HydrophobicContact CB-CE2 4.16Å; V286-Y288 HydrophobicContact CG1-CD1 4.47Å; V286-Y288 HydrophobicContact CG1-CE1 4.02Å; V286-Y288 HydrophobicContact CG1-CE2 4.14Å
287N78.4Confident75.4Confident78 Ų7876.5 Ų76.542%0.41743%0.425SS..EExtended strand (participates in β ladder)trans-88.1115.2173.2-73.5-9.4000109H278H278-N287 PolarHBondContact N-O 3.01Å; H278-N287 PolarHBondContact O-N 2.95Å
288Y81Confident75.8Confident125 Ų12576.9 Ų76.949%0.4942%0.424SS..  trans-85.3-12.6176.8-62.9-81.4000113.1A277 V286 A299 E300A277-Y288 HydrophobicContact CB-CD1 4.15Å; A277-Y288 HydrophobicContact CB-CE1 4.41Å; V286-Y288 HydrophobicContact CB-CE2 4.16Å; V286-Y288 HydrophobicContact CG1-CD1 4.47Å; V286-Y288 HydrophobicContact CG1-CE1 4.02Å; V286-Y288 HydrophobicContact CG1-CE2 4.14Å; Y288-A299 HydrophobicContact CD1-CB 4.07Å; Y288-E300 WeakPolarHBondContact O-CG 3.36Å
289I81.6Confident76.3Confident57 Ų5773.3 Ų73.329%0.29241%0.408SS..SBendtrans-121.3131.9179-54.4170.7000109.1E300 I352 K356I289-E300 HydrophobicContact CB-CG 4.32Å; I289-E300 HydrophobicContact CG1-CG 4.24Å; I289-E300 HydrophobicContact CG2-CG 4.38Å; I289-I352 HydrophobicContact CD1-CD1 3.88Å; I289-I352 HydrophobicContact CD1-CG1 4.19Å; I289-I352 HydrophobicContact CD1-CG2 4.14Å; I289-K356 HydrophobicContact CG2-CD 4.42Å; I289-K356 HydrophobicContact CG2-CG 4.23Å
290H79.7Confident77.1Confident54 Ų5466.8 Ų66.825%0.2538%0.38CS..  trans-77.8131.9178.8-163.4-75.7000109.9S292 F297 E300 K356H290-S292 VanDerWaalsContact C-N 3.3Å; H290-S292 PolarHBondContact CE1-OG 3.05Å; H290-S292 PolarHBondContact ND1-N 2.93Å; H290-S292 VanDerWaalsContact ND1-N 3.12Å; H290-S292 PolarHBondContact ND1-OG 3.33Å; H290-S292 PolarHBondContact O-N 3.35Å; H290-F297 VanDerWaalsContact CA-CE2 3.42Å; H290-F297 HydrophobicContact CB-CD2 3.73Å; H290-F297 HydrophobicContact CB-CE2 3.58Å; H290-F297 HydrophobicContact CB-CG 4.36Å; H290-F297 HydrophobicContact CB-CZ 4.08Å; H290-F297 AromaticContact CD2-CE1 3.62Å; H290-F297 AromaticContact CD2-CE2 3.77Å; H290-F297 AromaticContact CD2-CZ 3.3Å; H290-F297 WeakPolarHBondContact CD2-CZ 3.43Å; H290-E300 WeakPolarHBondContact CA-OE1 3.28Å; H290-E300 WeakPolarHBondContact CB-OE1 3.04Å; H290-E300 PolarHBondContact N-OE1 3.17Å; H290-K356 WeakPolarHBondContact O-CE 3.19Å; H290-K356 WeakPolarHBondContact O-CG 3.42Å
291G77.1Confident78.2Confident61 Ų6164.5 Ų64.563%0.62937%0.368SS*.SBendtrans-72.8-16.9-175.900000115
292S78.7Confident79.5Confident45 Ų4563.6 Ų63.632%0.31535%0.354SS..SBendtrans-98.3145.8175.479.40000112.9H290 Q294 A295H290-S292 VanDerWaalsContact C-N 3.3Å; H290-S292 PolarHBondContact CE1-OG 3.05Å; H290-S292 PolarHBondContact ND1-N 2.93Å; H290-S292 VanDerWaalsContact ND1-N 3.12Å; H290-S292 PolarHBondContact ND1-OG 3.33Å; H290-S292 PolarHBondContact O-N 3.35Å; S292-Q294 VanDerWaalsContact C-N 3.32Å; S292-Q294 PolarHBondContact O-N 2.92Å; S292-A295 VanDerWaalsContact O-O 3.1Å
293S77.6Confident80.9Confident52 Ų5257.6 Ų57.636%0.36433%0.327SS..THydrogen-bonded Turntrans-67.3-23.9172.652.80000115.5A295 Y357S293-A295 VanDerWaalsContact C-N 3.31Å; S293-A295 PolarHBondContact O-N 3.2Å; S293-Y357 WeakPolarHBondContact CB-OH 3.21Å
294Q77.4Confident82.1Confident155 Ų15555.7 Ų55.772%0.72432%0.316SS*.THydrogen-bonded Turntrans-81.5-6.9-175.9-68.1-81.7-21.800114S292S292-Q294 VanDerWaalsContact C-N 3.32Å; S292-Q294 PolarHBondContact O-N 2.92Å
295A79.6Confident83.3Confident24 Ų2455.6 Ų55.620%0.19830%0.301CS..  trans-140.5155.8-175.600000111.8W268 S292 S293 K356W268-A295 HydrophobicContact CH2-CB 4.25Å; S292-A295 VanDerWaalsContact O-O 3.1Å; S293-A295 VanDerWaalsContact C-N 3.31Å; S293-A295 PolarHBondContact O-N 3.2Å; A295-K356 PolarHBondContact O-NZ 3.4Å
296Q83.7Confident84.4Confident35 Ų3554.2 Ų54.216%0.16430%0.298CS..  trans-141.7140.5-175.2-177.9170-2.400109S264 W268 P274 E300 T301S264-Q296 PolarHBondContact O-NE2 3.46Å; S264-Q296 VanDerWaalsContact O-NE2 3.11Å; W268-Q296 HydrophobicContact CE3-CB 4.01Å; W268-Q296 HydrophobicContact CH2-CB 4.28Å; W268-Q296 HydrophobicContact CZ3-CB 3.79Å; W268-Q296 WeakPolarHBondContact CZ3-O 3.2Å; P274-Q296 WeakPolarHBondContact CB-O 3.45Å; Q296-E300 HydrophobicContact CG-CB 3.95Å; Q296-T301 PolarHBondContact NE2-OG1 3.09Å
297F87.2Confident85.4Confident12 Ų1252.9 Ų52.95%0.05329%0.288CS..  trans-88.7157.4168-62.9-56000111.8P275 H278 H290 A299 E300P275-F297 HydrophobicContact CG-CD1 4.14Å; P275-F297 HydrophobicContact CG-CE1 4.04Å; P275-F297 WeakPolarHBondContact O-CD1 3.28Å; H278-F297 HydrophobicContact CB-CE1 3.77Å; H278-F297 HydrophobicContact CB-CE2 4.09Å; H278-F297 HydrophobicContact CB-CZ 3.32Å; H290-F297 VanDerWaalsContact CA-CE2 3.42Å; H290-F297 HydrophobicContact CB-CD2 3.73Å; H290-F297 HydrophobicContact CB-CE2 3.58Å; H290-F297 HydrophobicContact CB-CG 4.36Å; H290-F297 HydrophobicContact CB-CZ 4.08Å; H290-F297 AromaticContact CD2-CE1 3.62Å; H290-F297 AromaticContact CD2-CE2 3.77Å; H290-F297 AromaticContact CD2-CZ 3.3Å; H290-F297 WeakPolarHBondContact CD2-CZ 3.43Å; F297-A299 VanDerWaalsContact C-N 3.26Å; F297-A299 PolarHBondContact O-N 2.86Å; F297-E300 HydrophobicContact CB-CG 4.16Å; F297-E300 WeakPolarHBondContact CD2-OE1 3.3Å; F297-E300 PolarHBondContact N-OE1 3.33Å; F297-E300 WeakPolarHBondContact O-CB 3.4Å; F297-E300 PolarHBondContact O-N 2.99Å; F297-E300 VanDerWaalsContact O-N 3.12Å
298V87.4Confident86.2Confident34 Ų3451 Ų5121%0.20628%0.278CS..Hα-helixtrans-61-37.6177.6-176.40000111.5P274 Y276 E300 T301 H302P274-V298 HydrophobicContact CG-CG2 3.94Å; Y276-V298 HydrophobicContact CD2-CB 3.79Å; Y276-V298 HydrophobicContact CD2-CG1 3.87Å; Y276-V298 HydrophobicContact CE2-CB 4.43Å; Y276-V298 HydrophobicContact CE2-CG1 4.2Å; Y276-V298 HydrophobicContact CG-CB 4.49Å; V298-E300 VanDerWaalsContact C-N 3.3Å; V298-E300 PolarHBondContact O-N 3.41Å; V298-T301 WeakPolarHBondContact O-CB 3.39Å; V298-T301 PolarHBondContact O-N 2.91Å; V298-H302 PolarHBondContact O-ND1 3.41Å
299A87.6Confident86.8Confident4 Ų446 Ų463%0.03326%0.264CS..Hα-helixtrans-59.2-39.2176.100000112.5Y276 Y288 F297 T301 H302 I303Y276-A299 HydrophobicContact CD1-CB 4.25Å; Y276-A299 HydrophobicContact CE1-CB 3.84Å; Y276-A299 HydrophobicContact CE2-CB 4.38Å; Y276-A299 WeakPolarHBondContact O-CB 3.27Å; Y276-A299 PolarHBondContact O-N 2.91Å; Y288-A299 HydrophobicContact CD1-CB 4.07Å; F297-A299 VanDerWaalsContact C-N 3.26Å; F297-A299 PolarHBondContact O-N 2.86Å; A299-T301 VanDerWaalsContact C-N 3.3Å; A299-T301 PolarHBondContact O-N 3.42Å; A299-H302 WeakPolarHBondContact O-CB 3.45Å; A299-H302 PolarHBondContact O-N 2.85Å; A299-H302 VanDerWaalsContact O-N 3.12Å; A299-I303 WeakPolarHBondContact O-CG1 3.27Å; A299-I303 PolarHBondContact O-N 2.9Å
300E89.6Confident87.4Confident9 Ų943.6 Ų43.64%0.04225%0.254CS..Hα-helixtrans-61.5-39.3179.6-63.9177.2-136.300112.6Y288 I289 H290 Q296 F297 V298 H302 I303 V304 K356Y288-E300 WeakPolarHBondContact O-CG 3.36Å; I289-E300 HydrophobicContact CB-CG 4.32Å; I289-E300 HydrophobicContact CG1-CG 4.24Å; I289-E300 HydrophobicContact CG2-CG 4.38Å; H290-E300 WeakPolarHBondContact CA-OE1 3.28Å; H290-E300 WeakPolarHBondContact CB-OE1 3.04Å; H290-E300 PolarHBondContact N-OE1 3.17Å; Q296-E300 HydrophobicContact CG-CB 3.95Å; F297-E300 HydrophobicContact CB-CG 4.16Å; F297-E300 WeakPolarHBondContact CD2-OE1 3.3Å; F297-E300 PolarHBondContact N-OE1 3.33Å; F297-E300 WeakPolarHBondContact O-CB 3.4Å; F297-E300 PolarHBondContact O-N 2.99Å; F297-E300 VanDerWaalsContact O-N 3.12Å; V298-E300 VanDerWaalsContact C-N 3.3Å; V298-E300 PolarHBondContact O-N 3.41Å; E300-H302 PolarHBondContact O-N 3.21Å; E300-I303 PolarHBondContact O-N 3.31Å; E300-I303 VanDerWaalsContact O-N 3.12Å; E300-V304 WeakPolarHBondContact O-CG2 3.47Å; E300-V304 PolarHBondContact O-N 3.5Å; E300-K356 IonicContact OE1-NZ 3.65Å; E300-K356 WeakPolarHBondContact OE2-CE 3.29Å; E300-K356 IonicContact OE2-NZ 2.68Å; E300-K356 PolarHBondContact OE2-NZ 3.47Å
301T91.1Very high88.1Confident0 Ų042.5 Ų42.50%025%0.251CS..Hα-helixtrans-60.2-35.3178.5-52.40000111.4S264 Q266 N269 Q296 V298 A299 L305S264-T301 WeakPolarHBondContact CB-O 3.38Å; S264-T301 WeakPolarHBondContact O-CG2 3.39Å; S264-T301 VanDerWaalsContact OG-CG2 3.27Å; S264-T301 WeakPolarHBondContact OG-CG2 2.79Å; Q266-T301 HydrophobicContact CB-CG2 4.4Å; Q266-T301 HydrophobicContact CG-CG2 3.61Å; N269-T301 WeakPolarHBondContact ND2-CB 3.49Å; N269-T301 PolarHBondContact ND2-OG1 2.83Å; Q296-T301 PolarHBondContact NE2-OG1 3.09Å; V298-T301 WeakPolarHBondContact O-CB 3.39Å; V298-T301 PolarHBondContact O-N 2.91Å; A299-T301 VanDerWaalsContact C-N 3.3Å; A299-T301 PolarHBondContact O-N 3.42Å; T301-L305 WeakPolarHBondContact O-CB 3.34Å; T301-L305 PolarHBondContact O-N 2.91Å
302H91.4Very high88.9Confident88 Ų8841.6 Ų41.641%0.40723%0.233SC..Hα-helixtrans-72.1-36.7177.6-6351.4000111.2V298 A299 E300 L305 L306V298-H302 PolarHBondContact O-ND1 3.41Å; A299-H302 WeakPolarHBondContact O-CB 3.45Å; A299-H302 PolarHBondContact O-N 2.85Å; A299-H302 VanDerWaalsContact O-N 3.12Å; E300-H302 PolarHBondContact O-N 3.21Å; H302-L305 WeakPolarHBondContact O-CB 3.34Å; H302-L306 PolarHBondContact O-N 2.89Å
303I91.5Very high89.7Confident52 Ų5243.9 Ų43.927%0.26724%0.241SC..Hα-helixtrans-66.6-48175.2-62.1167.3000110.5A299 E300 L305 L306 F307 I352A299-I303 WeakPolarHBondContact O-CG1 3.27Å; A299-I303 PolarHBondContact O-N 2.9Å; E300-I303 PolarHBondContact O-N 3.31Å; E300-I303 VanDerWaalsContact O-N 3.12Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 2.93Å; I303-L306 WeakPolarHBondContact O-CB 3.36Å; I303-L306 PolarHBondContact O-N 3.44Å; I303-L306 VanDerWaalsContact O-N 3.16Å; I303-F307 HydrophobicContact CG2-CD2 4.22Å; I303-F307 HydrophobicContact CG2-CE1 4.16Å; I303-F307 HydrophobicContact CG2-CE2 3.78Å; I303-F307 HydrophobicContact CG2-CZ 3.72Å; I303-F307 WeakPolarHBondContact O-CG 3.4Å; I303-F307 PolarHBondContact O-N 3.48Å; I303-I352 HydrophobicContact CG2-CD1 3.89Å
304V92.4Very high90.4Very high41 Ų4141.4 Ų41.425%0.24822%0.224CC..Hα-helixtrans-62.8-38.5177.3173.80000111E300 L306 F307 N308E300-V304 WeakPolarHBondContact O-CG2 3.47Å; E300-V304 PolarHBondContact O-N 3.5Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-F307 PolarHBondContact O-N 2.97Å; V304-N308 WeakPolarHBondContact CG1-ND2 3.34Å; V304-N308 WeakPolarHBondContact O-CB 3.46Å; V304-N308 PolarHBondContact O-N 3.5Å; V304-N308 PolarHBondContact O-ND2 3Å
305L93.7Very high91.2Very high55 Ų5539.1 Ų39.129%0.28821%0.214SC..Hα-helixtrans-58.8-46.3173.4-177.470.1000111.5L260 T301 H302 I303 G309L260-L305 HydrophobicContact CB-CD1 3.63Å; L260-L305 WeakPolarHBondContact O-CD1 3.48Å; T301-L305 WeakPolarHBondContact O-CB 3.34Å; T301-L305 PolarHBondContact O-N 2.91Å; H302-L305 WeakPolarHBondContact O-CB 3.34Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 2.93Å; L305-G309 PolarHBondContact O-N 3.26Å
306L93.8Very high91.8Very high106 Ų10641 Ų4156%0.55522%0.223SC*.Hα-helixtrans-63.5-41.8178.7-173.9151.8000111.4H302 I303 V304 G309 G310 F345H302-L306 PolarHBondContact O-N 2.89Å; I303-L306 WeakPolarHBondContact O-CB 3.36Å; I303-L306 PolarHBondContact O-N 3.44Å; I303-L306 VanDerWaalsContact O-N 3.16Å; V304-L306 VanDerWaalsContact C-N 3.34Å; L306-G309 PolarHBondContact O-N 3.35Å; L306-G310 PolarHBondContact O-N 3.46Å; L306-F345 HydrophobicContact CD2-CD1 4.4Å; L306-F345 HydrophobicContact CD2-CE1 3.61Å; L306-F345 HydrophobicContact CD2-CZ 4.4Å
307F93.8Very high92.2Very high23 Ų2341.2 Ų41.210%0.10123%0.225CC..Hα-helixtrans-68.6-46.3179.7-67.5-7.8000112.8I303 V304 G309 G310 V311 F345 W348 M349 I352I303-F307 HydrophobicContact CG2-CD2 4.22Å; I303-F307 HydrophobicContact CG2-CE1 4.16Å; I303-F307 HydrophobicContact CG2-CE2 3.78Å; I303-F307 HydrophobicContact CG2-CZ 3.72Å; I303-F307 WeakPolarHBondContact O-CG 3.4Å; I303-F307 PolarHBondContact O-N 3.48Å; V304-F307 PolarHBondContact O-N 2.97Å; F307-G309 VanDerWaalsContact C-N 3.3Å; F307-G309 PolarHBondContact O-N 3Å; F307-G310 PolarHBondContact O-N 3.28Å; F307-V311 WeakPolarHBondContact O-CG2 3.35Å; F307-V311 PolarHBondContact O-N 2.9Å; F307-F345 AromaticContact CD1-CD1 3.78Å; F307-F345 HydrophobicContact CD1-CD1 3.78Å; F307-F345 HydrophobicContact CD1-CE1 4.14Å; F307-F345 HydrophobicContact CE1-CD1 4.42Å; F307-F345 HydrophobicContact CG-CD1 4.47Å; F307-W348 HydrophobicContact CD1-CE3 4.4Å; F307-W348 HydrophobicContact CD2-CB 4.36Å; F307-W348 HydrophobicContact CE1-CB 4.34Å; F307-W348 AromaticContact CE1-CE3 3.8Å; F307-W348 HydrophobicContact CE1-CE3 3.8Å; F307-W348 HydrophobicContact CE2-CB 3.84Å; F307-W348 HydrophobicContact CZ-CB 3.86Å; F307-W348 HydrophobicContact CZ-CE3 4.24Å; F307-W348 HydrophobicContact CZ-CG 4.5Å; F307-M349 HydrophobicContact CD2-CB 4.35Å; F307-I352 HydrophobicContact CD2-CD1 4.32Å; F307-I352 HydrophobicContact CE2-CD1 3.39Å; F307-I352 HydrophobicContact CE2-CG1 4.16Å; F307-I352 HydrophobicContact CZ-CD1 4.05Å
308N93.8Very high92.5Very high38 Ų3842.5 Ų42.520%0.20323%0.233CC..Hα-helixtrans-62.4-40.6173.6-77-43.7000111.2L260 V304 G310 V311 T312L260-N308 HydrophobicContact CD2-CB 3.76Å; V304-N308 WeakPolarHBondContact CG1-ND2 3.34Å; V304-N308 WeakPolarHBondContact O-CB 3.46Å; V304-N308 PolarHBondContact O-N 3.5Å; V304-N308 PolarHBondContact O-ND2 3Å; N308-G310 VanDerWaalsContact C-N 3.34Å; N308-G310 PolarHBondContact O-N 2.94Å; N308-V311 PolarHBondContact O-N 3.01Å; N308-T312 WeakPolarHBondContact O-CG2 3.32Å; N308-T312 PolarHBondContact O-N 2.98Å; N308-T312 PolarHBondContact O-OG1 3.29Å; N308-T312 VanDerWaalsContact O-OG1 3.09Å
309G94.3Very high92.7Very high20 Ų2044 Ų4421%0.20624%0.244CC..Hα-helixtrans-57-47.1173.500000111.9L305 L306 F307 T312 L313L305-G309 PolarHBondContact O-N 3.26Å; L306-G309 PolarHBondContact O-N 3.35Å; F307-G309 VanDerWaalsContact C-N 3.3Å; F307-G309 PolarHBondContact O-N 3Å; G309-T312 WeakPolarHBondContact CA-OG1 3.37Å; G309-T312 PolarHBondContact O-N 3.39Å; G309-T312 PolarHBondContact O-OG1 2.82Å; G309-L313 WeakPolarHBondContact O-CB 3.3Å; G309-L313 PolarHBondContact O-N 3.47Å
310G94.1Very high92.8Very high7 Ų748.7 Ų48.77%0.07227%0.265CS..Hα-helixtrans-54.8-59.7172.300000111.8L306 F307 N308 T312 L313 G314 L341L306-G310 PolarHBondContact O-N 3.46Å; F307-G310 PolarHBondContact O-N 3.28Å; N308-G310 VanDerWaalsContact C-N 3.34Å; N308-G310 PolarHBondContact O-N 2.94Å; G310-T312 VanDerWaalsContact C-N 3.27Å; G310-T312 PolarHBondContact O-N 3.29Å; G310-L313 WeakPolarHBondContact O-CB 3.41Å; G310-L313 PolarHBondContact O-N 3.35Å; G310-G314 PolarHBondContact O-N 3.44Å; G310-L341 WeakPolarHBondContact O-CD2 2.92Å
311V94.7Very high92.7Very high31 Ų3148.4 Ų48.419%0.18826%0.264CS..Hα-helixtrans-54.9-43.3-178.9175.50000112F307 N308 G314 M315 F345 F346F307-V311 WeakPolarHBondContact O-CG2 3.35Å; F307-V311 PolarHBondContact O-N 2.9Å; N308-V311 PolarHBondContact O-N 3.01Å; V311-G314 PolarHBondContact O-N 2.88Å; V311-M315 PolarHBondContact O-N 2.88Å; V311-F345 HydrophobicContact CG2-CB 3.77Å; V311-F346 HydrophobicContact CG2-CB 4.31Å
312T94.5Very high92.6Very high42 Ų4252.5 Ų52.526%0.25830%0.298SS..Hα-helixtrans-64.9-41.6177.357.40000113L260 N308 G309 G310 G314 M315 V316L260-T312 HydrophobicContact CD2-CG2 4.01Å; N308-T312 WeakPolarHBondContact O-CG2 3.32Å; N308-T312 PolarHBondContact O-N 2.98Å; N308-T312 PolarHBondContact O-OG1 3.29Å; N308-T312 VanDerWaalsContact O-OG1 3.09Å; G309-T312 WeakPolarHBondContact CA-OG1 3.37Å; G309-T312 PolarHBondContact O-N 3.39Å; G309-T312 PolarHBondContact O-OG1 2.82Å; G310-T312 VanDerWaalsContact C-N 3.27Å; G310-T312 PolarHBondContact O-N 3.29Å; T312-G314 VanDerWaalsContact C-N 3.32Å; T312-G314 PolarHBondContact O-N 2.98Å; T312-M315 PolarHBondContact O-N 2.96Å; T312-V316 WeakPolarHBondContact O-CG2 3.14Å; T312-V316 PolarHBondContact O-N 3.36Å
313L94Very high92.3Very high94 Ų9453.9 Ų53.949%0.49231%0.313SS..Hα-helixtrans-60.7-44174.8179.565000111G309 G310 M315 V316 L317 L341G309-L313 WeakPolarHBondContact O-CB 3.3Å; G309-L313 PolarHBondContact O-N 3.47Å; G310-L313 WeakPolarHBondContact O-CB 3.41Å; G310-L313 PolarHBondContact O-N 3.35Å; L313-M315 VanDerWaalsContact C-N 3.3Å; L313-M315 PolarHBondContact O-N 3.28Å; L313-V316 PolarHBondContact O-N 3.49Å; L313-L317 HydrophobicContact CG-CD1 4.47Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.18Å; L313-L341 HydrophobicContact CD2-CD1 4.15Å
314G93.9Very high91.9Very high0 Ų052.8 Ų52.80%031%0.31CS..Hα-helixtrans-59.7-41.417600000112G310 V311 T312 L317 L318G310-G314 PolarHBondContact O-N 3.44Å; V311-G314 PolarHBondContact O-N 2.88Å; T312-G314 VanDerWaalsContact C-N 3.32Å; T312-G314 PolarHBondContact O-N 2.98Å; G314-L317 PolarHBondContact O-N 3.33Å; G314-L318 WeakPolarHBondContact O-CG 3.17Å; G314-L318 PolarHBondContact O-N 3.25Å; G314-L318 VanDerWaalsContact O-N 3.17Å
315M93.4Very high91.3Very high106 Ų10659.1 Ų59.152%0.52234%0.342SS..Hα-helixtrans-68.1-40.2176.4-166.364.7-157.500112.8V311 T312 L313 L318 C319V311-M315 PolarHBondContact O-N 2.88Å; T312-M315 PolarHBondContact O-N 2.96Å; L313-M315 VanDerWaalsContact C-N 3.3Å; L313-M315 PolarHBondContact O-N 3.28Å; M315-L318 PolarHBondContact O-N 3.35Å; M315-L318 HydrophobicContact SD-CD1 4.45Å; M315-C319 PolarHBondContact O-N 3.4Å; M315-C319 PolarHBondContact O-SG 2.93Å
316V92.7Very high90.7Very high63 Ų6359.9 Ų59.938%0.38235%0.345SS..Hα-helixtrans-62.1-44.8175.9170.30000110.7T312 L313 L318 C319 E320T312-V316 WeakPolarHBondContact O-CG2 3.14Å; T312-V316 PolarHBondContact O-N 3.36Å; L313-V316 PolarHBondContact O-N 3.49Å; V316-L318 VanDerWaalsContact C-N 3.27Å; V316-L318 PolarHBondContact O-N 2.86Å; V316-C319 PolarHBondContact O-N 3.01Å; V316-E320 HydrophobicContact CG1-CG 4.4Å; V316-E320 PolarHBondContact O-N 3.3Å
317L91.9Very high90.4Very high40 Ų4059.7 Ų59.721%0.20935%0.345CS..Hα-helixtrans-59.7-36.8175.9-71.6175.2000112.5L313 G314 A321L313-L317 HydrophobicContact CG-CD1 4.47Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.18Å; G314-L317 PolarHBondContact O-N 3.33Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 3.02Å
318L92.6Very high90Very high40 Ų4063.7 Ų63.721%0.20937%0.366CS..Hα-helixtrans-68.4-43.8176-69.9169.1000112.2G314 M315 V316 A321 A322 C335 I339 V342G314-L318 WeakPolarHBondContact O-CG 3.17Å; G314-L318 PolarHBondContact O-N 3.25Å; G314-L318 VanDerWaalsContact O-N 3.17Å; M315-L318 PolarHBondContact O-N 3.35Å; M315-L318 HydrophobicContact SD-CD1 4.45Å; V316-L318 VanDerWaalsContact C-N 3.27Å; V316-L318 PolarHBondContact O-N 2.86Å; L318-A321 PolarHBondContact O-N 3.05Å; L318-A322 WeakPolarHBondContact O-CB 3.25Å; L318-A322 PolarHBondContact O-N 3.41Å; L318-C335 HydrophobicContact CD2-CB 4.49Å; L318-C335 WeakPolarHBondContact CD2-O 3.49Å; L318-I339 HydrophobicContact CD1-CG1 4.39Å; L318-I339 HydrophobicContact CD2-CG1 3.72Å; L318-V342 HydrophobicContact CD1-CG2 4.3Å
319C91.1Very high89.6Confident64 Ų6464 Ų6443%0.43238%0.378SS..Hα-helixtrans-63.2-45.4176.2-71.90000111.5M315 V316 A322 T323M315-C319 PolarHBondContact O-N 3.4Å; M315-C319 PolarHBondContact O-SG 2.93Å; V316-C319 PolarHBondContact O-N 3.01Å; C319-A322 PolarHBondContact O-N 2.93Å; C319-T323 PolarHBondContact O-N 3.21Å; C319-T323 PolarHBondContact O-OG1 3.41Å
320E89.9Confident89.2Confident104 Ų10468.6 Ų68.649%0.48639%0.392SS..Hα-helixtrans-66-38.7176.5-74.6-169.2165.600112V316 A322 T323 S324V316-E320 HydrophobicContact CG1-CG 4.4Å; V316-E320 PolarHBondContact O-N 3.3Å; E320-A322 PolarHBondContact O-N 2.93Å; E320-T323 PolarHBondContact O-N 3.37Å; E320-S324 WeakPolarHBondContact O-CB 3.38Å; E320-S324 PolarHBondContact O-N 3.49Å; E320-S324 PolarHBondContact O-OG 2.87Å
321A89.1Confident88.8Confident3 Ų372.3 Ų72.33%0.02540%0.404CS..Hα-helixtrans-60.7-35.8173.100000111.7L317 L318 R331 M334 C335L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 3.02Å; L318-A321 PolarHBondContact O-N 3.05Å; A321-R331 HydrophobicContact CB-CG 4.23Å; A321-R331 WeakPolarHBondContact O-CD 3.37Å; A321-R331 WeakPolarHBondContact O-CG 3.19Å; A321-M334 HydrophobicContact CB-CB 4.06Å; A321-M334 HydrophobicContact CB-CE 3.89Å; A321-C335 HydrophobicContact CB-CB 4.19Å
322A87.4Confident88.5Confident85 Ų8577.4 Ų77.470%0.70242%0.424SS*.Hα-helixtrans-75.7-34.9-179.900000113.6L318 C319 E320L318-A322 WeakPolarHBondContact O-CB 3.25Å; L318-A322 PolarHBondContact O-N 3.41Å; C319-A322 PolarHBondContact O-N 2.93Å; E320-A322 PolarHBondContact O-N 2.93Å
323T86.4Confident88.3Confident117 Ų11781.2 Ų81.272%0.71844%0.441SS*.Hα-helixtrans-98.7-14.9-173.657.50000114.5C319 E320C319-T323 PolarHBondContact O-N 3.21Å; C319-T323 PolarHBondContact O-OG1 3.41Å; E320-T323 PolarHBondContact O-N 3.37Å
324S83.1Confident88.1Confident30 Ų3078.6 Ų78.621%0.2143%0.427CS..  trans-86.2136.1-176.563.30000113.7E320 M326E320-S324 WeakPolarHBondContact O-CB 3.38Å; E320-S324 PolarHBondContact O-N 3.49Å; E320-S324 PolarHBondContact O-OG 2.87Å; S324-M326 PolarHBondContact O-N 3.46Å
325D78.9Confident88Confident174 Ų17480.8 Ų80.893%0.9344%0.442SS*.  trans-79.837.6173.6-70.8-33000112.6
326M80.4Confident88Confident70 Ų7080.9 Ų80.935%0.34545%0.448SS..  trans-79.5163178-65.1-157.8-4900112.7S324 I328 K330 R331 M334S324-M326 PolarHBondContact O-N 3.46Å; M326-I328 PolarHBondContact O-N 3.28Å; M326-K330 HydrophobicContact CE-CB 4.02Å; M326-R331 PolarHBondContact O-NH1 2.88Å; M326-R331 VanDerWaalsContact O-NH1 3.14Å; M326-M334 HydrophobicContact CE-CE 3.05Å; M326-M334 HydrophobicContact CE-CG 4.41Å; M326-M334 HydrophobicContact CE-SD 3.48Å; M326-M334 WeakPolarHBondContact CE-SD 3.29Å
327D87.4Confident88Confident103 Ų10380.1 Ų80.155%0.55145%0.449SS*.  trans-48138.6171.5-61.8-47000111.7G329 K330 R331D327-G329 PolarHBondContact O-N 3.3Å; D327-G329 VanDerWaalsContact O-N 3.08Å; D327-K330 HydrophobicContact CB-CD 4.35Å; D327-K330 HydrophobicContact CB-CG 4.45Å; D327-K330 PolarHBondContact O-N 2.92Å; D327-K330 IonicContact OD2-NZ 3.73Å; D327-K330 PolarHBondContact OD2-NZ 2.91Å; D327-R331 PolarHBondContact O-N 3.43Å
328I85.6Confident88Confident106 Ų10678.2 Ų78.254%0.54444%0.439SS..Hα-helixtrans-53.8-36.8-176.3-62155.5000111.6M326 K332M326-I328 PolarHBondContact O-N 3.28Å; I328-K332 HydrophobicContact CG2-CD 4.32Å; I328-K332 VanDerWaalsContact O-CG 3.3Å; I328-K332 WeakPolarHBondContact O-CG 3.48Å; I328-K332 PolarHBondContact O-N 2.83Å; I328-K332 VanDerWaalsContact O-N 3.13Å
329G86Confident88.1Confident44 Ų4480.6 Ų80.645%0.45445%0.451SS..Hα-helixtrans-65.3-47.3177.200000113.2D327 K332 I333D327-G329 PolarHBondContact O-N 3.3Å; D327-G329 VanDerWaalsContact O-N 3.08Å; G329-K332 PolarHBondContact O-N 3.5Å; G329-I333 WeakPolarHBondContact O-CG1 3.37Å; G329-I333 PolarHBondContact O-N 3.15Å; G329-I333 VanDerWaalsContact O-N 3.15Å
330K85.5Confident88.3Confident117 Ų11779.4 Ų79.451%0.50945%0.449SS..Hα-helixtrans-66.2-42180-67.5173.5-174.9147.30111.2M326 D327 K332 I333 M334M326-K330 HydrophobicContact CE-CB 4.02Å; D327-K330 HydrophobicContact CB-CD 4.35Å; D327-K330 HydrophobicContact CB-CG 4.45Å; D327-K330 PolarHBondContact O-N 2.92Å; D327-K330 IonicContact OD2-NZ 3.73Å; D327-K330 PolarHBondContact OD2-NZ 2.91Å; K330-K332 PolarHBondContact O-N 3.49Å; K330-I333 PolarHBondContact O-N 3.44Å; K330-M334 WeakPolarHBondContact O-CG 3.4Å; K330-M334 PolarHBondContact O-N 3.48Å
331R87Confident88.4Confident85 Ų8576.3 Ų76.332%0.32144%0.436SS..Hα-helixtrans-59.2-43.9175.7-178.8170.362.3-118.42.7112.4A321 M326 D327 M334 C335A321-R331 HydrophobicContact CB-CG 4.23Å; A321-R331 WeakPolarHBondContact O-CD 3.37Å; A321-R331 WeakPolarHBondContact O-CG 3.19Å; M326-R331 PolarHBondContact O-NH1 2.88Å; M326-R331 VanDerWaalsContact O-NH1 3.14Å; D327-R331 PolarHBondContact O-N 3.43Å; R331-M334 PolarHBondContact O-N 3.37Å; R331-C335 WeakPolarHBondContact O-CB 3.38Å; R331-C335 PolarHBondContact O-N 3.42Å
332K87.7Confident88.7Confident139 Ų13978 Ų7860%0.60445%0.446SS*.Hα-helixtrans-61.4-45176.8-77.7178178.2-175.40111.8I328 G329 K330 C335 V336I328-K332 HydrophobicContact CG2-CD 4.32Å; I328-K332 VanDerWaalsContact O-CG 3.3Å; I328-K332 WeakPolarHBondContact O-CG 3.48Å; I328-K332 PolarHBondContact O-N 2.83Å; I328-K332 VanDerWaalsContact O-N 3.13Å; G329-K332 PolarHBondContact O-N 3.5Å; K330-K332 PolarHBondContact O-N 3.49Å; K332-C335 PolarHBondContact O-N 3.27Å; K332-V336 WeakPolarHBondContact O-CG2 3.31Å; K332-V336 PolarHBondContact O-N 3.45Å
333I90.3Very high89Confident122 Ų12276 Ų7663%0.62643%0.425SS*.Hα-helixtrans-62.2-46.3178.6-66165.2000110.7G329 K330 C335 V336 A337G329-I333 WeakPolarHBondContact O-CG1 3.37Å; G329-I333 PolarHBondContact O-N 3.15Å; G329-I333 VanDerWaalsContact O-N 3.15Å; K330-I333 PolarHBondContact O-N 3.44Å; I333-C335 VanDerWaalsContact C-N 3.35Å; I333-C335 PolarHBondContact O-N 2.99Å; I333-V336 PolarHBondContact O-N 3.13Å; I333-A337 VanDerWaalsContact O-CB 3.25Å; I333-A337 WeakPolarHBondContact O-CB 3.3Å; I333-A337 PolarHBondContact O-N 3.03Å
334M89.4Confident89.3Confident38 Ų3873.9 Ų73.919%0.18741%0.409CS..Hα-helixtrans-63.1-39.5178.1-68.4-163.2-40.900112.9A321 M326 K330 R331 A337 G338A321-M334 HydrophobicContact CB-CB 4.06Å; A321-M334 HydrophobicContact CB-CE 3.89Å; M326-M334 HydrophobicContact CE-CE 3.05Å; M326-M334 HydrophobicContact CE-CG 4.41Å; M326-M334 HydrophobicContact CE-SD 3.48Å; M326-M334 WeakPolarHBondContact CE-SD 3.29Å; K330-M334 WeakPolarHBondContact O-CG 3.4Å; K330-M334 PolarHBondContact O-N 3.48Å; R331-M334 PolarHBondContact O-N 3.37Å; M334-A337 PolarHBondContact O-N 3.14Å; M334-G338 PolarHBondContact O-N 2.64Å
335C91.5Very high89.7Confident47 Ų4774.2 Ų74.232%0.31841%0.406SS..Hα-helixtrans-65.3-46.8177.3-174.40000111.5L318 A321 R331 K332 I333 A337 G338 I339L318-C335 HydrophobicContact CD2-CB 4.49Å; L318-C335 WeakPolarHBondContact CD2-O 3.49Å; A321-C335 HydrophobicContact CB-CB 4.19Å; R331-C335 WeakPolarHBondContact O-CB 3.38Å; R331-C335 PolarHBondContact O-N 3.42Å; K332-C335 PolarHBondContact O-N 3.27Å; I333-C335 VanDerWaalsContact C-N 3.35Å; I333-C335 PolarHBondContact O-N 2.99Å; C335-A337 PolarHBondContact O-N 3Å; C335-G338 PolarHBondContact O-N 2.95Å; C335-I339 WeakPolarHBondContact O-CG1 3.44Å; C335-I339 PolarHBondContact O-N 3.44Å
336V93.2Very high90.4Very high107 Ų10769.7 Ų69.765%0.64838%0.378SS*.Hα-helixtrans-63-43.2177173.50000111.1K332 I333 G340K332-V336 WeakPolarHBondContact O-CG2 3.31Å; K332-V336 PolarHBondContact O-N 3.45Å; I333-V336 PolarHBondContact O-N 3.13Å; V336-G340 PolarHBondContact O-N 3.48Å
337A93.4Very high90.8Very high48 Ų4866.5 Ų66.540%0.39736%0.363SS..Hα-helixtrans-61.9-44.7175.700000111.8I333 M334 C335 G340 L341I333-A337 VanDerWaalsContact O-CB 3.25Å; I333-A337 WeakPolarHBondContact O-CB 3.3Å; I333-A337 PolarHBondContact O-N 3.03Å; M334-A337 PolarHBondContact O-N 3.14Å; C335-A337 PolarHBondContact O-N 3Å; A337-G340 PolarHBondContact O-N 3.22Å; A337-L341 VanDerWaalsContact O-CB 3.27Å; A337-L341 WeakPolarHBondContact O-CB 3.15Å; A337-L341 PolarHBondContact O-N 3.47Å
338G92.8Very high91Very high0 Ų066 Ų660%035%0.353CS..Hα-helixtrans-61.3-47.3177.900000112.7M334 C335 L341 V342M334-G338 PolarHBondContact O-N 2.64Å; C335-G338 PolarHBondContact O-N 2.95Å; G338-L341 PolarHBondContact O-N 3.41Å; G338-V342 WeakPolarHBondContact O-CG2 3.38Å; G338-V342 PolarHBondContact O-N 2.92Å
339I94.5Very high91.2Very high90 Ų9063.6 Ų63.646%0.46234%0.34SS..Hα-helixtrans-59.8-49.4175.2-67170.5000110.2L318 C335 L341 V342 V343L318-I339 HydrophobicContact CD1-CG1 4.39Å; L318-I339 HydrophobicContact CD2-CG1 3.72Å; C335-I339 WeakPolarHBondContact O-CG1 3.44Å; C335-I339 PolarHBondContact O-N 3.44Å; I339-L341 VanDerWaalsContact C-N 3.28Å; I339-L341 PolarHBondContact O-N 3.38Å; I339-V342 PolarHBondContact O-N 2.94Å; I339-V343 HydrophobicContact CG2-CG2 4.1Å; I339-V343 VanDerWaalsContact O-CB 3.3Å; I339-V343 WeakPolarHBondContact O-CB 3.1Å; I339-V343 WeakPolarHBondContact O-CG2 3.4Å; I339-V343 PolarHBondContact O-N 3.42Å
340G93.8Very high91.3Very high38 Ų3862.7 Ų62.739%0.39233%0.325SS..Hα-helixtrans-58.6-40.9-179.300000112.5V336 A337 L344V336-G340 PolarHBondContact O-N 3.48Å; A337-G340 PolarHBondContact O-N 3.22Å; G340-L344 VanDerWaalsContact O-CB 3.22Å; G340-L344 WeakPolarHBondContact O-CB 3.32Å; G340-L344 PolarHBondContact O-N 2.89Å
341L93.3Very high91.4Very high40 Ų4058.8 Ų58.821%0.20931%0.312CS..Hα-helixtrans-69.4-45.2-179.3-154.3156.9000111.5G310 L313 A337 G338 I339 L344 F345G310-L341 WeakPolarHBondContact O-CD2 2.92Å; L313-L341 HydrophobicContact CD2-CD1 4.15Å; A337-L341 VanDerWaalsContact O-CB 3.27Å; A337-L341 WeakPolarHBondContact O-CB 3.15Å; A337-L341 PolarHBondContact O-N 3.47Å; G338-L341 PolarHBondContact O-N 3.41Å; I339-L341 VanDerWaalsContact C-N 3.28Å; I339-L341 PolarHBondContact O-N 3.38Å; L341-L344 PolarHBondContact O-N 3.27Å; L341-F345 HydrophobicContact CD2-CD2 3.41Å; L341-F345 VanDerWaalsContact CD2-CD2 3.41Å; L341-F345 HydrophobicContact CD2-CE2 3.68Å; L341-F345 HydrophobicContact CG-CD2 3.86Å; L341-F345 HydrophobicContact CG-CE2 3.85Å; L341-F345 WeakPolarHBondContact O-CD2 3.48Å; L341-F345 PolarHBondContact O-N 2.89Å
342V94.2Very high91.4Very high39 Ų3956.6 Ų56.624%0.23631%0.307CS..Hα-helixtrans-58.8-50.31741720000110.5L318 G338 I339 L344 F346L318-V342 HydrophobicContact CD1-CG2 4.3Å; G338-V342 WeakPolarHBondContact O-CG2 3.38Å; G338-V342 PolarHBondContact O-N 2.92Å; I339-V342 PolarHBondContact O-N 2.94Å; V342-L344 PolarHBondContact O-N 3.46Å; V342-F346 WeakPolarHBondContact O-CB 3.46Å; V342-F346 PolarHBondContact O-N 2.87Å
343V93.8Very high91.4Very high43 Ų4354.1 Ų54.126%0.26130%0.296SS..Hα-helixtrans-60.4-44.1-177.2164.10000111.8I339 S347 F364 L365I339-V343 HydrophobicContact CG2-CG2 4.1Å; I339-V343 VanDerWaalsContact O-CB 3.3Å; I339-V343 WeakPolarHBondContact O-CB 3.1Å; I339-V343 WeakPolarHBondContact O-CG2 3.4Å; I339-V343 PolarHBondContact O-N 3.42Å; V343-S347 WeakPolarHBondContact O-CB 3.36Å; V343-S347 PolarHBondContact O-N 2.75Å; V343-S347 VanDerWaalsContact O-N 3.12Å; V343-S347 PolarHBondContact O-OG 3.46Å; V343-F364 HydrophobicContact CB-CE1 4.29Å; V343-F364 HydrophobicContact CG1-CE1 3.87Å; V343-F364 HydrophobicContact CG2-CE1 4.16Å; V343-L365 HydrophobicContact CG1-CD1 3.16Å
344L92.9Very high91.2Very high72 Ų7252.1 Ų52.138%0.37728%0.281SS..Hα-helixtrans-69.6-52.8-178.3-178.2151.1000112.2G340 L341 V342 F346 S347 W348G340-L344 VanDerWaalsContact O-CB 3.22Å; G340-L344 WeakPolarHBondContact O-CB 3.32Å; G340-L344 PolarHBondContact O-N 2.89Å; L341-L344 PolarHBondContact O-N 3.27Å; V342-L344 PolarHBondContact O-N 3.46Å; L344-F346 PolarHBondContact O-N 3.24Å; L344-S347 WeakPolarHBondContact O-CB 3.4Å; L344-S347 PolarHBondContact O-N 3.08Å; L344-W348 HydrophobicContact CD2-CD2 3.89Å; L344-W348 HydrophobicContact CD2-CE3 3.6Å; L344-W348 HydrophobicContact CD2-CH2 3.58Å; L344-W348 HydrophobicContact CD2-CZ2 3.84Å; L344-W348 HydrophobicContact CD2-CZ3 3.44Å; L344-W348 VanDerWaalsContact CD2-CZ3 3.44Å; L344-W348 HydrophobicContact CG-CZ2 4.36Å; L344-W348 PolarHBondContact O-N 3.14Å; L344-W348 VanDerWaalsContact O-N 3.09Å
345F92.8Very high90.9Very high36 Ų3653.6 Ų53.616%0.15830%0.295CS..Hα-helixtrans-70.8-33.8-177.1-78.2-75.5000112.6L306 F307 V311 L341 S347 W348 M349L306-F345 HydrophobicContact CD2-CD1 4.4Å; L306-F345 HydrophobicContact CD2-CE1 3.61Å; L306-F345 HydrophobicContact CD2-CZ 4.4Å; F307-F345 AromaticContact CD1-CD1 3.78Å; F307-F345 HydrophobicContact CD1-CD1 3.78Å; F307-F345 HydrophobicContact CD1-CE1 4.14Å; F307-F345 HydrophobicContact CE1-CD1 4.42Å; F307-F345 HydrophobicContact CG-CD1 4.47Å; V311-F345 HydrophobicContact CG2-CB 3.77Å; L341-F345 HydrophobicContact CD2-CD2 3.41Å; L341-F345 VanDerWaalsContact CD2-CD2 3.41Å; L341-F345 HydrophobicContact CD2-CE2 3.68Å; L341-F345 HydrophobicContact CG-CD2 3.86Å; L341-F345 HydrophobicContact CG-CE2 3.85Å; L341-F345 WeakPolarHBondContact O-CD2 3.48Å; L341-F345 PolarHBondContact O-N 2.89Å; F345-S347 VanDerWaalsContact C-N 3.32Å; F345-W348 AromaticContact CD1-CE3 3.79Å; F345-W348 HydrophobicContact CD1-CE3 3.79Å; F345-W348 HydrophobicContact CD1-CZ3 4.1Å; F345-W348 AromaticContact CE1-CE3 3.86Å; F345-W348 HydrophobicContact CE1-CE3 3.86Å; F345-W348 AromaticContact CE1-CZ3 3.7Å; F345-W348 HydrophobicContact CE1-CZ3 3.7Å; F345-W348 HydrophobicContact CZ-CZ3 4.25Å; F345-W348 PolarHBondContact O-N 2.63Å; F345-M349 WeakPolarHBondContact O-CB 3.33Å; F345-M349 PolarHBondContact O-N 3.07Å
346F92Very high90.6Very high79 Ų7952.9 Ų52.935%0.34629%0.286SS..Hα-helixtrans-65-38.1173.1-172.6-106.4000111.7V311 V342 L344 M349 L350 F364V311-F346 HydrophobicContact CG2-CB 4.31Å; V342-F346 WeakPolarHBondContact O-CB 3.46Å; V342-F346 PolarHBondContact O-N 2.87Å; L344-F346 PolarHBondContact O-N 3.24Å; F346-M349 HydrophobicContact CD2-CE 3.53Å; F346-M349 HydrophobicContact CE2-CE 3.74Å; F346-M349 PolarHBondContact O-N 3.25Å; F346-L350 HydrophobicContact CD1-CD1 3.83Å; F346-L350 HydrophobicContact CD1-CG 4.49Å; F346-L350 HydrophobicContact CE1-CD1 3.4Å; F346-L350 VanDerWaalsContact CE1-CD1 3.4Å; F346-L350 HydrophobicContact CE1-CG 4.16Å; F346-L350 HydrophobicContact CZ-CD1 3.93Å; F346-L350 HydrophobicContact CZ-CG 4.29Å; F346-L350 PolarHBondContact O-N 3.5Å; F346-F364 HydrophobicContact CD1-CD1 4.27Å
347S90.7Very high90.1Very high3 Ų353 Ų532%0.02128%0.276CS..Hα-helixtrans-61.7-46.3173.7-61.80000112.3V343 L344 F345 M349 L350 S351 F364 L365V343-S347 WeakPolarHBondContact O-CB 3.36Å; V343-S347 PolarHBondContact O-N 2.75Å; V343-S347 VanDerWaalsContact O-N 3.12Å; V343-S347 PolarHBondContact O-OG 3.46Å; L344-S347 WeakPolarHBondContact O-CB 3.4Å; L344-S347 PolarHBondContact O-N 3.08Å; F345-S347 VanDerWaalsContact C-N 3.32Å; S347-M349 VanDerWaalsContact C-N 3.35Å; S347-M349 PolarHBondContact O-N 3.38Å; S347-L350 PolarHBondContact O-N 3Å; S347-S351 PolarHBondContact O-N 3.32Å; S347-F364 VanDerWaalsContact OG-CD1 3.29Å; S347-F364 WeakPolarHBondContact OG-CD1 3.26Å; S347-L365 WeakPolarHBondContact OG-CB 3.3Å
348W90.6Very high89.3Confident93 Ų9358.3 Ų58.335%0.35229%0.292SS..Hα-helixtrans-63.9-39.7177.3-73.7-16.3000112.7F307 L344 F345 L350 S351 I352 M366F307-W348 HydrophobicContact CD1-CE3 4.4Å; F307-W348 HydrophobicContact CD2-CB 4.36Å; F307-W348 HydrophobicContact CE1-CB 4.34Å; F307-W348 AromaticContact CE1-CE3 3.8Å; F307-W348 HydrophobicContact CE1-CE3 3.8Å; F307-W348 HydrophobicContact CE2-CB 3.84Å; F307-W348 HydrophobicContact CZ-CB 3.86Å; F307-W348 HydrophobicContact CZ-CE3 4.24Å; F307-W348 HydrophobicContact CZ-CG 4.5Å; L344-W348 HydrophobicContact CD2-CD2 3.89Å; L344-W348 HydrophobicContact CD2-CE3 3.6Å; L344-W348 HydrophobicContact CD2-CH2 3.58Å; L344-W348 HydrophobicContact CD2-CZ2 3.84Å; L344-W348 HydrophobicContact CD2-CZ3 3.44Å; L344-W348 VanDerWaalsContact CD2-CZ3 3.44Å; L344-W348 HydrophobicContact CG-CZ2 4.36Å; L344-W348 PolarHBondContact O-N 3.14Å; L344-W348 VanDerWaalsContact O-N 3.09Å; F345-W348 AromaticContact CD1-CE3 3.79Å; F345-W348 HydrophobicContact CD1-CE3 3.79Å; F345-W348 HydrophobicContact CD1-CZ3 4.1Å; F345-W348 AromaticContact CE1-CE3 3.86Å; F345-W348 HydrophobicContact CE1-CE3 3.86Å; F345-W348 AromaticContact CE1-CZ3 3.7Å; F345-W348 HydrophobicContact CE1-CZ3 3.7Å; F345-W348 HydrophobicContact CZ-CZ3 4.25Å; F345-W348 PolarHBondContact O-N 2.63Å; W348-L350 PolarHBondContact O-N 3.19Å; W348-S351 PolarHBondContact O-N 3.46Å; W348-I352 PolarHBondContact O-N 3.36Å; W348-I352 VanDerWaalsContact O-N 3.1Å; W348-M366 PolarHBondContact NE1-SD 3.02Å
349M90.1Very high88.6Confident55 Ų5561.9 Ų61.927%0.27133%0.329SS..Hα-helixtrans-61.2-44.5175.4-174.6175.264.500111.7F307 F345 F346 S347 F353F307-M349 HydrophobicContact CD2-CB 4.35Å; F345-M349 WeakPolarHBondContact O-CB 3.33Å; F345-M349 PolarHBondContact O-N 3.07Å; F346-M349 HydrophobicContact CD2-CE 3.53Å; F346-M349 HydrophobicContact CE2-CE 3.74Å; F346-M349 PolarHBondContact O-N 3.25Å; S347-M349 VanDerWaalsContact C-N 3.35Å; S347-M349 PolarHBondContact O-N 3.38Å; M349-F353 WeakPolarHBondContact O-CB 3.38Å; M349-F353 PolarHBondContact O-N 2.79Å
350L88.1Confident88Confident26 Ų2661.2 Ų61.214%0.13632%0.322CS..Hα-helixtrans-65.2-39.5176.8-77.9174.5000112.9F346 S347 W348 F353 R354 Y360 F364F346-L350 HydrophobicContact CD1-CD1 3.83Å; F346-L350 HydrophobicContact CD1-CG 4.49Å; F346-L350 HydrophobicContact CE1-CD1 3.4Å; F346-L350 VanDerWaalsContact CE1-CD1 3.4Å; F346-L350 HydrophobicContact CE1-CG 4.16Å; F346-L350 HydrophobicContact CZ-CD1 3.93Å; F346-L350 HydrophobicContact CZ-CG 4.29Å; F346-L350 PolarHBondContact O-N 3.5Å; S347-L350 PolarHBondContact O-N 3Å; W348-L350 PolarHBondContact O-N 3.19Å; L350-F353 PolarHBondContact O-N 2.92Å; L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 2.8Å; L350-Y360 HydrophobicContact CD2-CE1 4Å; L350-F364 HydrophobicContact CD1-CB 3.93Å
351S88.1Confident87.2Confident34 Ų3463.8 Ų63.824%0.23833%0.331CS..Hα-helixtrans-61.2-47.7176.8176.10000111.5S347 W348 F353 R354 S355 S367S347-S351 PolarHBondContact O-N 3.32Å; W348-S351 PolarHBondContact O-N 3.46Å; S351-F353 VanDerWaalsContact C-N 3.35Å; S351-F353 PolarHBondContact O-N 2.86Å; S351-R354 PolarHBondContact O-N 3.01Å; S351-S355 PolarHBondContact O-N 2.86Å; S351-S367 PolarHBondContact OG-O 3.38Å
352I86.9Confident86.5Confident39 Ų3969.7 Ų69.720%0.235%0.352CS..Hα-helixtrans-62.7-42.5174.5-66.4-169.9000111.3I289 I303 F307 W348 R354 S355 K356I289-I352 HydrophobicContact CD1-CD1 3.88Å; I289-I352 HydrophobicContact CD1-CG1 4.19Å; I289-I352 HydrophobicContact CD1-CG2 4.14Å; I303-I352 HydrophobicContact CG2-CD1 3.89Å; F307-I352 HydrophobicContact CD2-CD1 4.32Å; F307-I352 HydrophobicContact CE2-CD1 3.39Å; F307-I352 HydrophobicContact CE2-CG1 4.16Å; F307-I352 HydrophobicContact CZ-CD1 4.05Å; W348-I352 PolarHBondContact O-N 3.36Å; W348-I352 VanDerWaalsContact O-N 3.1Å; I352-R354 VanDerWaalsContact C-N 3.32Å; I352-R354 PolarHBondContact O-N 3.45Å; I352-S355 WeakPolarHBondContact O-CB 3.31Å; I352-S355 PolarHBondContact O-N 2.86Å; I352-K356 PolarHBondContact O-N 3.19Å; I352-K356 VanDerWaalsContact O-N 3.1Å
353F87.1Confident85.4Confident87 Ų8770.7 Ų70.738%0.38236%0.361SS..Hα-helixtrans-59.7-43.4179.4-178.1-100.2000111.8M349 L350 S351 K356 Y357 Y360M349-F353 WeakPolarHBondContact O-CB 3.38Å; M349-F353 PolarHBondContact O-N 2.79Å; L350-F353 PolarHBondContact O-N 2.92Å; S351-F353 VanDerWaalsContact C-N 3.35Å; S351-F353 PolarHBondContact O-N 2.86Å; F353-K356 PolarHBondContact O-N 3.14Å; F353-Y357 AromaticContact CD2-CD2 3.92Å; F353-Y357 HydrophobicContact CD2-CD2 3.92Å; F353-Y357 HydrophobicContact CD2-CE2 4.28Å; F353-Y357 HydrophobicContact CE1-CD2 4.21Å; F353-Y357 AromaticContact CE2-CD2 3.42Å; F353-Y357 HydrophobicContact CE2-CD2 3.42Å; F353-Y357 VanDerWaalsContact CE2-CD2 3.42Å; F353-Y357 AromaticContact CE2-CE2 3.56Å; F353-Y357 HydrophobicContact CE2-CE2 3.56Å; F353-Y357 HydrophobicContact CE2-CG 4.4Å; F353-Y357 AromaticContact CZ-CD2 3.58Å; F353-Y357 HydrophobicContact CZ-CD2 3.58Å; F353-Y357 AromaticContact CZ-CE2 3.97Å; F353-Y357 HydrophobicContact CZ-CE2 3.97Å; F353-Y357 HydrophobicContact CZ-CG 4.14Å; F353-Y357 PolarHBondContact O-N 3.09Å; F353-Y360 HydrophobicContact CD1-CD1 4.22Å; F353-Y360 HydrophobicContact CD1-CD2 4.29Å; F353-Y360 HydrophobicContact CD1-CG 4.07Å; F353-Y360 HydrophobicContact CE1-CD1 4.44Å; F353-Y360 AromaticContact CE1-CD2 3.69Å; F353-Y360 HydrophobicContact CE1-CD2 3.69Å; F353-Y360 HydrophobicContact CE1-CE2 4.07Å; F353-Y360 AromaticContact CE1-CG 3.88Å; F353-Y360 HydrophobicContact CE1-CG 3.88Å
354R85.9Confident84.1Confident80 Ų8074 Ų7430%0.30237%0.372SS..Hα-helixtrans-66.9-37.2176.4-170.5-179.6-174.6-157.11.5112.5L350 S351 I352 K356 Y357 H358 Y360 S367L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 2.8Å; S351-R354 PolarHBondContact O-N 3.01Å; I352-R354 VanDerWaalsContact C-N 3.32Å; I352-R354 PolarHBondContact O-N 3.45Å; R354-K356 PolarHBondContact O-N 3.24Å; R354-Y357 CarbonylContact O-C 3.42Å; R354-Y357 PolarHBondContact O-N 2.89Å; R354-Y357 VanDerWaalsContact O-O 3.07Å; R354-H358 PolarHBondContact O-N 2.88Å; R354-Y360 PolarHBondContact NE-O 3.2Å; R354-S367 PolarHBondContact NH1-OG 3.01Å; R354-S367 VanDerWaalsContact NH1-OG 3.15Å
355S83.2Confident82.9Confident70 Ų7076.1 Ų76.149%0.4938%0.383SS..Hα-helixtrans-61.2-31.1173-177.20000112.3S351 I352 H358S351-S355 PolarHBondContact O-N 2.86Å; I352-S355 WeakPolarHBondContact O-CB 3.31Å; I352-S355 PolarHBondContact O-N 2.86Å; S355-H358 PolarHBondContact O-CE1 3.32Å
356K85.7Confident81.4Confident31 Ų3179.4 Ų79.414%0.13540%0.4CS..Hα-helixtrans-85-34.1175-91.5-170.2153.1-165.80113.6I289 H290 A295 E300 I352 F353 R354I289-K356 HydrophobicContact CG2-CD 4.42Å; I289-K356 HydrophobicContact CG2-CG 4.23Å; H290-K356 WeakPolarHBondContact O-CE 3.19Å; H290-K356 WeakPolarHBondContact O-CG 3.42Å; A295-K356 PolarHBondContact O-NZ 3.4Å; E300-K356 IonicContact OE1-NZ 3.65Å; E300-K356 WeakPolarHBondContact OE2-CE 3.29Å; E300-K356 IonicContact OE2-NZ 2.68Å; E300-K356 PolarHBondContact OE2-NZ 3.47Å; I352-K356 PolarHBondContact O-N 3.19Å; I352-K356 VanDerWaalsContact O-N 3.1Å; F353-K356 PolarHBondContact O-N 3.14Å; R354-K356 PolarHBondContact O-N 3.24Å
357Y82.7Confident79.7Confident109 Ų10980.9 Ų80.943%0.42742%0.421SS..  trans-115.885.1178.4-75-83.9000109.8S293 F353 R354 G359 Y360S293-Y357 WeakPolarHBondContact CB-OH 3.21Å; F353-Y357 AromaticContact CD2-CD2 3.92Å; F353-Y357 HydrophobicContact CD2-CD2 3.92Å; F353-Y357 HydrophobicContact CD2-CE2 4.28Å; F353-Y357 HydrophobicContact CE1-CD2 4.21Å; F353-Y357 AromaticContact CE2-CD2 3.42Å; F353-Y357 HydrophobicContact CE2-CD2 3.42Å; F353-Y357 VanDerWaalsContact CE2-CD2 3.42Å; F353-Y357 AromaticContact CE2-CE2 3.56Å; F353-Y357 HydrophobicContact CE2-CE2 3.56Å; F353-Y357 HydrophobicContact CE2-CG 4.4Å; F353-Y357 AromaticContact CZ-CD2 3.58Å; F353-Y357 HydrophobicContact CZ-CD2 3.58Å; F353-Y357 AromaticContact CZ-CE2 3.97Å; F353-Y357 HydrophobicContact CZ-CE2 3.97Å; F353-Y357 HydrophobicContact CZ-CG 4.14Å; F353-Y357 PolarHBondContact O-N 3.09Å; R354-Y357 CarbonylContact O-C 3.42Å; R354-Y357 PolarHBondContact O-N 2.89Å; R354-Y357 VanDerWaalsContact O-O 3.07Å; Y357-G359 PolarHBondContact O-N 3.06Å; Y357-Y360 WeakPolarHBondContact O-CB 3.4Å; Y357-Y360 PolarHBondContact O-N 3.42Å
358H76.1Confident79.1Confident160 Ų16084.8 Ų84.874%0.74144%0.441SS*.THydrogen-bonded Turntrans-56.5-19.6-178.7-66.5-64.4000114.6R354 S355R354-H358 PolarHBondContact O-N 2.88Å; S355-H358 PolarHBondContact O-CE1 3.32Å
359G77.7Confident78.5Confident76 Ų7684.4 Ų84.478%0.78445%0.445SS*.THydrogen-bonded Turntrans-83.7-0.5176.300000115.5Y357 P361Y357-G359 PolarHBondContact O-N 3.06Å; G359-P361 WeakPolarHBondContact O-CD 3.27Å
360Y81.9Confident77.9Confident76 Ų7686 Ų8630%0.29846%0.455SS..  trans-80.5119.7-178.1-167.3-104.1000111.5L350 F353 R354 Y357 Y362L350-Y360 HydrophobicContact CD2-CE1 4Å; F353-Y360 HydrophobicContact CD1-CD1 4.22Å; F353-Y360 HydrophobicContact CD1-CD2 4.29Å; F353-Y360 HydrophobicContact CD1-CG 4.07Å; F353-Y360 HydrophobicContact CE1-CD1 4.44Å; F353-Y360 AromaticContact CE1-CD2 3.69Å; F353-Y360 HydrophobicContact CE1-CD2 3.69Å; F353-Y360 HydrophobicContact CE1-CE2 4.07Å; F353-Y360 AromaticContact CE1-CG 3.88Å; F353-Y360 HydrophobicContact CE1-CG 3.88Å; R354-Y360 PolarHBondContact NE-O 3.2Å; Y357-Y360 WeakPolarHBondContact O-CB 3.4Å; Y357-Y360 PolarHBondContact O-N 3.42Å; Y360-Y362 WeakPolarHBondContact CD1-O 3.41Å; Y360-Y362 HydrophobicContact CE1-CD2 4.39Å; Y360-Y362 VanDerWaalsContact CE1-O 3.3Å; Y360-Y362 WeakPolarHBondContact CE1-O 3.46Å; Y360-Y362 HydrophobicContact CE2-CD2 4.31Å; Y360-Y362 AromaticContact CZ-CD2 3.99Å
361P77.4Confident77.3Confident92 Ų9289.5 Ų89.560%0.59747%0.474SS*.  trans-88.8-15.8-168.133.3-35.1000114.8G359G359-P361 WeakPolarHBondContact O-CD 3.27Å
362Y78.4Confident76.6Confident163 Ų16393 Ų9364%0.63949%0.488SS*.  trans-96.1140.5-173.1-54.4-69.6000112.3Y360Y360-Y362 WeakPolarHBondContact CD1-O 3.41Å; Y360-Y362 HydrophobicContact CE1-CD2 4.39Å; Y360-Y362 VanDerWaalsContact CE1-O 3.3Å; Y360-Y362 WeakPolarHBondContact CE1-O 3.46Å; Y360-Y362 HydrophobicContact CE2-CD2 4.31Å; Y360-Y362 AromaticContact CZ-CD2 3.99Å
363S71.6Confident75.9Confident61 Ų6196.6 Ų96.643%0.42751%0.508SS..  trans-132.6151.5170.2177.80000108.6M366S363-M366 PolarHBondContact OG-O 2.83Å
364F67Low75.1Confident111 Ų11197.3 Ų97.349%0.48752%0.517SS..SBendtrans-102.3-75.2-178.8-165.7-128.3000111.8V343 F346 S347 L350V343-F364 HydrophobicContact CB-CE1 4.29Å; V343-F364 HydrophobicContact CG1-CE1 3.87Å; V343-F364 HydrophobicContact CG2-CE1 4.16Å; F346-F364 HydrophobicContact CD1-CD1 4.27Å; S347-F364 VanDerWaalsContact OG-CD1 3.29Å; S347-F364 WeakPolarHBondContact OG-CD1 3.26Å; L350-F364 HydrophobicContact CD1-CB 3.93Å
365L67.5Low74.3Confident118 Ų11898.6 Ų98.662%0.61853%0.533SS*.SBendtrans-123.6-31.8177-75.5164.5000114.8V343 S347V343-L365 HydrophobicContact CG1-CD1 3.16Å; S347-L365 WeakPolarHBondContact OG-CB 3.3Å
366M61.3Low73.5Confident104 Ų104101 Ų10151%0.51254%0.537SS..  trans-115.7128.9177.3-65.6-162.2173.300108.8W348 S363W348-M366 PolarHBondContact NE1-SD 3.02Å; S363-M366 PolarHBondContact OG-O 2.83Å
367S55.1Low72.4Confident111 Ų111107.4 Ų107.478%0.77657%0.573SS**  trans-780-180-178.50000112.4S351 R354S351-S367 PolarHBondContact OG-O 3.38Å; R354-S367 PolarHBondContact NH1-OG 3.01Å; R354-S367 VanDerWaalsContact NH1-OG 3.15Å

Retrieved 367 of 367 residues in 110.8 ms (Link to these results)