A0A077ZFC7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFC7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 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
1M59.4Low58Low249 Ų249159.8 Ų159.8100%1.22784%0.838SS**  0104.30-67.6-166.214300108.3
2R53.6Low58.3Low251 Ų251158 Ų15895%0.94783%0.83SS**  trans-119120.8173.3-83.2-176.7176.8176.9-1.2106.6
3S50.7Low58.3Low112 Ų112156.3 Ų156.378%0.78382%0.822SS**PPolyproline II helixtrans-71.9148.6177.833.80000111
4P66.3Low58.4Low120 Ų120156.1 Ų156.178%0.77981%0.814SS**PPolyproline II helixtrans-82.2126.7178.9-0.520.1000110.4
5T63.3Low58.3Low121 Ų121155.5 Ų155.574%0.74281%0.811SS**PPolyproline II helixtrans-73.8118.4168.639.20000110.3Y7T5-Y7 PolarHBondContact O-N 3.08Å
6H54Low58Low183 Ų183153.8 Ų153.885%0.84780%0.802SS**PPolyproline II helixtrans-66.2120.7164.6-90.9-100000110
7Y55Low57.9Low209 Ų209153.4 Ų153.482%0.8280%0.796SS**  trans-90.9113.7162.2-86.6-90.8000108.3T5T5-Y7 PolarHBondContact O-N 3.08Å
8T56.8Low57.7Low131 Ų131151.3 Ų151.380%0.80479%0.786SS**  trans-79.2114.3164.947.30000108.2
9V60.7Low57.2Low128 Ų128147.9 Ų147.978%0.77677%0.772SS**  trans-72.1123.9171.7174.90000107.8E11V9-E11 PolarHBondContact O-N 2.89Å
10A54.5Low56.9Low86 Ų86148.7 Ų148.771%0.71177%0.77SS**  trans-76.111817600000109.8D12A10-D12 PolarHBondContact O-N 3.45Å
11E63.7Low56.8Low168 Ų168147.4 Ų147.479%0.78576%0.76SS**  trans-91.568.6175.8-65-160.6165.500111.4V9V9-E11 PolarHBondContact O-N 2.89Å
12D61.3Low56.5Low138 Ų138141.2 Ų141.274%0.73873%0.728SS**  trans-119.73.5-179.3-83.2-32.9000115.2A10A10-D12 PolarHBondContact O-N 3.45Å
13D57.9Low56.5Low136 Ų136139.2 Ų139.273%0.72772%0.72SS**G310 helixtrans-90.8-1.4-173.2-86.1-19.1000115.8L15D13-L15 PolarHBondContact O-N 2.71Å
14H60.2Low56.6Low154 Ų154142 Ų14271%0.71372%0.719SS**G310 helixtrans-78.8-12.8-174.9-75.4-69.2000115.3
15L57.4Low55.9Low146 Ų146142.2 Ų142.276%0.76471%0.705SS**G310 helixtrans-91-18.2-175.2-75.6166.8000114.5D13D13-L15 PolarHBondContact O-N 2.71Å
16L53.6Low55.2Low129 Ų129142.4 Ų142.468%0.67570%0.699SS**THydrogen-bonded Turntrans-88.5-19.4-176.8-75.8167.6000114.2T19L16-T19 PolarHBondContact O-OG1 2.7Å
17Q55.2Low55.2Low147 Ų147137.4 Ų137.469%0.68769%0.689SS**SBendtrans-77.1-26177.6-79.7169.9-10.300113T19Q17-T19 PolarHBondContact O-N 2.87Å
18N54.5Low55.3Low116 Ų116133.4 Ų133.462%0.6268%0.682SS**Hα-helixtrans-75.7-17-176-109.4-7.1000114.7
19T49.2Very low55.2Low86 Ų86135 Ų13553%0.52868%0.68SS.*Hα-helixtrans-86.7-18-174.522.10000114.5L16 Q17L16-T19 PolarHBondContact O-OG1 2.7Å; Q17-T19 PolarHBondContact O-N 2.87Å
20F51Low54.9Low164 Ų164138 Ų13872%0.71968%0.677SS**Hα-helixtrans-93.4-33.9178.1-82-84.6000113.5
21E53.8Low55.1Low121 Ų121141 Ų14157%0.56568%0.682SS**Hα-helixtrans-68.5-36.1176.6-71.9-89.613800112.3R23 F24 Y25E21-R23 PolarHBondContact O-N 2.93Å; E21-R23 VanDerWaalsContact O-N 3.14Å; E21-F24 PolarHBondContact O-N 2.86Å; E21-Y25 PolarHBondContact O-N 2.99Å
22H53.5Low54.8Low119 Ų119141.9 Ų141.955%0.55169%0.686SS**THydrogen-bonded Turntrans-69.5-16.1-171.7-145.8-71.1000114.4
23R53.4Low54.2Low209 Ų209140.5 Ų140.579%0.78969%0.687SS**THydrogen-bonded Turntrans-86.5-20.1178.3-111.7-172.1-81.8-168.4-4.5113.8E21E21-R23 PolarHBondContact O-N 2.93Å; E21-R23 VanDerWaalsContact O-N 3.14Å
24F53.5Low53.8Low171 Ų171140 Ų14075%0.7569%0.694SS**THydrogen-bonded Turntrans-98.4-29.2178.2-75.5-80000112.7E21 M26 A27E21-F24 PolarHBondContact O-N 2.86Å; F24-M26 VanDerWaalsContact C-N 3.28Å; F24-M26 PolarHBondContact O-N 3.46Å; F24-A27 PolarHBondContact O-N 2.75Å
25Y50.5Low53.3Low124 Ų124136.4 Ų136.449%0.48670%0.699SS.*Hα-helixtrans-70.3-16.3-179.6-105-86.3000115.5E21 A27E21-Y25 PolarHBondContact O-N 2.99Å; Y25-A27 VanDerWaalsContact C-N 3.33Å
26M50.4Low52.9Low126 Ų126133.9 Ų133.962%0.62169%0.693SS**Hα-helixtrans-83.8-6.5177.1-69.7-68.6163.100113.8F24F24-M26 VanDerWaalsContact C-N 3.28Å; F24-M26 PolarHBondContact O-N 3.46Å
27A54.2Low53.2Low77 Ų77134.6 Ų134.664%0.63670%0.703SS**Hα-helixtrans-90.6-26.5-179.700000113.6F24 Y25F24-A27 PolarHBondContact O-N 2.75Å; Y25-A27 VanDerWaalsContact C-N 3.33Å
28D55.7Low53.1Low126 Ų126137.4 Ų137.467%0.67471%0.709SS**Hα-helixtrans-102.5-12.7-169.3-120.116.5000114.4R30D28-R30 VanDerWaalsContact C-N 3.34Å; D28-R30 PolarHBondContact O-N 3.21Å
29Q55.3Low52.9Low164 Ų164134.9 Ų134.977%0.76671%0.71SS**THydrogen-bonded Turntrans-86.97.9178.9-76.2-157.54.600115
30R54.1Low53.3Low190 Ų190136 Ų13672%0.71772%0.721SS**THydrogen-bonded Turntrans-88.6-4.6-178-96.9-177.4-177.41491.8115.7D28D28-R30 VanDerWaalsContact C-N 3.34Å; D28-R30 PolarHBondContact O-N 3.21Å
31D57.9Low53.7Low150 Ų150133 Ų13380%0.80271%0.712SS**SBendtrans-94.49.5-169.2-85.4-5.6000115.7
32Q57.9Low54.1Low187 Ų187131.2 Ų131.287%0.87471%0.711SS**SBendtrans-123.7-1.4-177.7-62-158.731.100117.1S34Q32-S34 PolarHBondContact O-N 2.84Å
33S49.3Very low54.5Low109 Ų109129.7 Ų129.776%0.76271%0.714SS**  trans-9290.6170.478.80000110.7G35S33-G35 PolarHBondContact O-N 3.03Å
34S49.4Very low54.7Low125 Ų125126.3 Ų126.387%0.87471%0.711SS**  trans-47.5121.8163.549.40000111.4Q32Q32-S34 PolarHBondContact O-N 2.84Å
35G50.2Low54.9Low79 Ų79125.7 Ų125.781%0.81470%0.704SS**SBendtrans117.546.9158.400000118S33S33-G35 PolarHBondContact O-N 3.03Å
36S48.3Very low55.1Low92 Ų92122.8 Ų122.864%0.64370%0.702SS**  trans-168.1106.9147.3-174.70000109.7Y38S36-Y38 PolarHBondContact O-N 2.91Å; S36-Y38 VanDerWaalsContact O-N 3.15Å
37V61Low55.4Low145 Ų145122.7 Ų122.788%0.87971%0.708SS**SBendtrans-71.7-4.1-175.7178.30000112.7
38Y52.9Low55.5Low206 Ų206124.4 Ų124.481%0.80872%0.716SS**SBendtrans-110.977167.9-69.6-84.2000109.4S36 S40S36-Y38 PolarHBondContact O-N 2.91Å; S36-Y38 VanDerWaalsContact O-N 3.15Å; Y38-S40 PolarHBondContact O-N 3.27Å
39G49.5Very low55.4Low63 Ų63121 Ų12165%0.64970%0.702SS**  trans-55.7115.6165.400000108.6L41G39-L41 PolarHBondContact O-N 3.14Å
40S57.1Low55.5Low110 Ų110115.4 Ų115.477%0.76968%0.684SS**  trans-45.5103.7174.9-62.40000109Y38Y38-S40 PolarHBondContact O-N 3.27Å
41L58.9Low56.2Low99 Ų99113 Ų11352%0.51869%0.69SS.*  trans-53.1128.6172.1-76165000106.5G39 S43 W45G39-L41 PolarHBondContact O-N 3.14Å; L41-S43 PolarHBondContact O-N 2.86Å; L41-W45 HydrophobicContact CB-CD2 3.97Å; L41-W45 HydrophobicContact CB-CG 4.06Å; L41-W45 HydrophobicContact CB-CZ2 3.85Å; L41-W45 HydrophobicContact CD1-CD2 4.01Å; L41-W45 HydrophobicContact CD1-CE3 4.24Å; L41-W45 HydrophobicContact CD1-CH2 3.59Å; L41-W45 HydrophobicContact CD1-CZ2 3.32Å; L41-W45 HydrophobicContact CD1-CZ3 4.05Å; L41-W45 HydrophobicContact CG-CZ2 4.22Å; L41-W45 PolarHBondContact O-NE1 2.76Å
42P63Low57.3Low84 Ų84109.9 Ų109.955%0.54567%0.673SS.*  trans-55.3108.5-173.412.8-21.9000108.5D44 W45P42-D44 PolarHBondContact O-N 3.21Å; P42-W45 PolarHBondContact O-N 3.09Å
43S61.4Low58.7Low87 Ų87104.7 Ų104.761%0.60866%0.663SS**G310 helixtrans-47.3-12.2-163-58.70000116L41 W45 S46L41-S43 PolarHBondContact O-N 2.86Å; S43-W45 PolarHBondContact O-N 2.78Å; S43-S46 PolarHBondContact O-N 3.15Å; S43-S46 PolarHBondContact O-OG 2.83Å
44D57.3Low60.6Low139 Ų139104.6 Ų104.674%0.74365%0.654SS**G310 helixtrans-70-8.5171.8-49.1-16.6000113.8P42 S46P42-D44 PolarHBondContact O-N 3.21Å; D44-S46 PolarHBondContact O-N 3.39Å
45W58Low62.4Low157 Ų157100.2 Ų100.260%0.59562%0.623SS**G310 helixtrans-75.3-0.8169.273.5-63.4000114L41 P42 S43 V47L41-W45 HydrophobicContact CB-CD2 3.97Å; L41-W45 HydrophobicContact CB-CG 4.06Å; L41-W45 HydrophobicContact CB-CZ2 3.85Å; L41-W45 HydrophobicContact CD1-CD2 4.01Å; L41-W45 HydrophobicContact CD1-CE3 4.24Å; L41-W45 HydrophobicContact CD1-CH2 3.59Å; L41-W45 HydrophobicContact CD1-CZ2 3.32Å; L41-W45 HydrophobicContact CD1-CZ3 4.05Å; L41-W45 HydrophobicContact CG-CZ2 4.22Å; L41-W45 PolarHBondContact O-NE1 2.76Å; P42-W45 PolarHBondContact O-N 3.09Å; S43-W45 PolarHBondContact O-N 2.78Å; W45-V47 PolarHBondContact O-N 2.89Å
46S54.4Low64.2Low64 Ų64103.4 Ų103.445%0.44861%0.611SS.*  trans-51.9123.1173.9-68.20000110.3S43 D44 S48 S49S43-S46 PolarHBondContact O-N 3.15Å; S43-S46 PolarHBondContact O-OG 2.83Å; D44-S46 PolarHBondContact O-N 3.39Å; S46-S48 PolarHBondContact O-N 3.12Å; S46-S49 PolarHBondContact O-N 3.07Å; S46-S49 PolarHBondContact O-OG 2.97Å; S46-S49 VanDerWaalsContact O-OG 3.12Å
47V58.6Low66.3Low124 Ų124103.3 Ų103.375%0.75260%0.603SS**G310 helixtrans-51.5-19.6-179.3-172.70000112.1W45 S49 A50W45-V47 PolarHBondContact O-N 2.89Å; V47-S49 VanDerWaalsContact C-N 3.27Å; V47-S49 PolarHBondContact O-N 2.94Å; V47-A50 WeakPolarHBondContact O-CB 3.27Å; V47-A50 PolarHBondContact O-N 3.31Å
48S55.7Low67.9Low113 Ų113101.1 Ų101.179%0.7959%0.586SS**G310 helixtrans-66.9-13.5177.1-47.60000115.7S46 A50S46-S48 PolarHBondContact O-N 3.12Å; S48-A50 VanDerWaalsContact C-N 3.34Å
49S54Low69.7Low55 Ų5595.7 Ų95.739%0.38557%0.566SS.*G310 helixtrans-87.10.5174.958.60000114S46 V47 T51 K59S46-S49 PolarHBondContact O-N 3.07Å; S46-S49 PolarHBondContact O-OG 2.97Å; S46-S49 VanDerWaalsContact O-OG 3.12Å; V47-S49 VanDerWaalsContact C-N 3.27Å; V47-S49 PolarHBondContact O-N 2.94Å; S49-T51 PolarHBondContact O-N 3.39Å; S49-K59 PolarHBondContact OG-NZ 3.35Å
50A57Low71.8Confident46 Ų4695.9 Ų95.938%0.3855%0.551SS.*  trans-81.258.5175.100000111.6V47 S48 N52V47-A50 WeakPolarHBondContact O-CB 3.27Å; V47-A50 PolarHBondContact O-N 3.31Å; S48-A50 VanDerWaalsContact C-N 3.34Å; A50-N52 PolarHBondContact O-N 2.89Å
51T67.9Low73.7Confident140 Ų14094.6 Ų94.686%0.85953%0.533SS*.SBendtrans-70.5-12.8171.351.80000112.3S49S49-T51 PolarHBondContact O-N 3.39Å
52N82.5Confident75.4Confident83 Ų8396.2 Ų96.244%0.44454%0.538SS..SBendtrans-131123.1174.6-171.9-10000110.2A50 D54 S55A50-N52 PolarHBondContact O-N 2.89Å; N52-D54 PolarHBondContact O-N 3.17Å; N52-D54 PolarHBondContact OD1-N 2.89Å; N52-D54 VanDerWaalsContact OD1-N 3.1Å; N52-S55 WeakPolarHBondContact O-CB 3.45Å; N52-S55 PolarHBondContact O-N 2.87Å; N52-S55 PolarHBondContact O-OG 3.22Å
53A86.1Confident76.9Confident79 Ų7998.1 Ų98.165%0.65354%0.538SS*.Hα-helixtrans-56.5-32.3177.900000112.5S55 W56 L57A53-S55 VanDerWaalsContact C-N 3.32Å; A53-S55 PolarHBondContact O-N 2.7Å; A53-W56 PolarHBondContact O-N 2.85Å; A53-L57 PolarHBondContact O-N 3.48Å
54D88.9Confident78.5Confident106 Ų10698.8 Ų98.857%0.56753%0.534SS*.Hα-helixtrans-64.4-38.7177.9-63.6-26.5000111.4N52 W56 L57 D58N52-D54 PolarHBondContact O-N 3.17Å; N52-D54 PolarHBondContact OD1-N 2.89Å; N52-D54 VanDerWaalsContact OD1-N 3.1Å; D54-W56 VanDerWaalsContact C-N 3.26Å; D54-W56 PolarHBondContact O-N 3.35Å; D54-L57 PolarHBondContact O-N 3.12Å; D54-D58 PolarHBondContact O-N 2.96Å
55S88.7Confident80.2Confident34 Ų3498.4 Ų98.424%0.23853%0.526CS..Hα-helixtrans-64.5-30.2178.676.20000112.9N52 A53 K59N52-S55 WeakPolarHBondContact O-CB 3.45Å; N52-S55 PolarHBondContact O-N 2.87Å; N52-S55 PolarHBondContact O-OG 3.22Å; A53-S55 VanDerWaalsContact C-N 3.32Å; A53-S55 PolarHBondContact O-N 2.7Å; S55-K59 WeakPolarHBondContact O-CB 3.32Å; S55-K59 WeakPolarHBondContact O-CD 3.45Å; S55-K59 WeakPolarHBondContact O-CG 3.3Å; S55-K59 PolarHBondContact O-N 3.45Å; S55-K59 VanDerWaalsContact O-N 3.11Å
56W87Confident81.8Confident145 Ų14595.7 Ų95.755%0.54952%0.523SS..Hα-helixtrans-73.2-43.7176.6177.386.4000111.2A53 D54 D58 K59 Q60A53-W56 PolarHBondContact O-N 2.85Å; D54-W56 VanDerWaalsContact C-N 3.26Å; D54-W56 PolarHBondContact O-N 3.35Å; W56-D58 VanDerWaalsContact C-N 3.34Å; W56-K59 PolarHBondContact O-N 3.44Å; W56-Q60 HydrophobicContact CD2-CG 4.07Å; W56-Q60 HydrophobicContact CE3-CG 4.31Å; W56-Q60 HydrophobicContact CH2-CG 4.08Å; W56-Q60 HydrophobicContact CZ2-CG 3.8Å; W56-Q60 HydrophobicContact CZ3-CG 4.32Å; W56-Q60 WeakPolarHBondContact O-CG 3.14Å; W56-Q60 PolarHBondContact O-N 3.36Å
57L93.4Very high83.5Confident91 Ų91100.6 Ų100.648%0.47653%0.531SS..Hα-helixtrans-63.1-42.9177.2-176.862.3000111.1A53 D54 K59 Q60 M61A53-L57 PolarHBondContact O-N 3.48Å; D54-L57 PolarHBondContact O-N 3.12Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 3.12Å; L57-Q60 PolarHBondContact O-N 2.86Å; L57-Q60 VanDerWaalsContact O-N 3.15Å; L57-M61 WeakPolarHBondContact O-CG 3.44Å; L57-M61 PolarHBondContact O-N 3.4Å
58D93.9Very high85Confident98 Ų98101.2 Ų101.252%0.52453%0.526SS..Hα-helixtrans-59.1-45.1174.9-78.1-23.4000111.7D54 W56 Q60 M61 Q62D54-D58 PolarHBondContact O-N 2.96Å; W56-D58 VanDerWaalsContact C-N 3.34Å; D58-Q60 VanDerWaalsContact C-N 3.35Å; D58-Q60 PolarHBondContact O-N 3.1Å; D58-M61 PolarHBondContact O-N 3.4Å; D58-Q62 WeakPolarHBondContact O-CB 3.3Å; D58-Q62 WeakPolarHBondContact O-CG 3.35Å; D58-Q62 PolarHBondContact O-N 2.93Å
59K90.5Very high86.4Confident92 Ų92100.4 Ų100.440%0.451%0.509SS..Hα-helixtrans-60.1-42174.4-75.4172.2-177.1-176.40111.8S49 S55 W56 L57 Q62 K63S49-K59 PolarHBondContact OG-NZ 3.35Å; S55-K59 WeakPolarHBondContact O-CB 3.32Å; S55-K59 WeakPolarHBondContact O-CD 3.45Å; S55-K59 WeakPolarHBondContact O-CG 3.3Å; S55-K59 PolarHBondContact O-N 3.45Å; S55-K59 VanDerWaalsContact O-N 3.11Å; W56-K59 PolarHBondContact O-N 3.44Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 3.12Å; K59-Q62 PolarHBondContact O-N 2.91Å; K59-K63 WeakPolarHBondContact O-CB 3.36Å; K59-K63 PolarHBondContact O-N 3.25Å
60Q94.1Very high87.9Confident68 Ų68103 Ų10332%0.31852%0.519SS..Hα-helixtrans-66.6-39176.1-66.4-51.6-41.700112.2W56 L57 D58 K63 L64W56-Q60 HydrophobicContact CD2-CG 4.07Å; W56-Q60 HydrophobicContact CE3-CG 4.31Å; W56-Q60 HydrophobicContact CH2-CG 4.08Å; W56-Q60 HydrophobicContact CZ2-CG 3.8Å; W56-Q60 HydrophobicContact CZ3-CG 4.32Å; W56-Q60 WeakPolarHBondContact O-CG 3.14Å; W56-Q60 PolarHBondContact O-N 3.36Å; L57-Q60 PolarHBondContact O-N 2.86Å; L57-Q60 VanDerWaalsContact O-N 3.15Å; D58-Q60 VanDerWaalsContact C-N 3.35Å; D58-Q60 PolarHBondContact O-N 3.1Å; Q60-K63 PolarHBondContact O-N 3.02Å; Q60-L64 PolarHBondContact O-N 3.04Å
61M95.7Very high89.5Confident82 Ų82106.1 Ų106.140%0.40453%0.533SS..Hα-helixtrans-67.8-38.4176-73.2-52.494.400112.3L57 D58 L64 K65L57-M61 WeakPolarHBondContact O-CG 3.44Å; L57-M61 PolarHBondContact O-N 3.4Å; D58-M61 PolarHBondContact O-N 3.4Å; M61-L64 HydrophobicContact CE-CD2 4.22Å; M61-L64 PolarHBondContact O-N 3.33Å; M61-L64 HydrophobicContact SD-CD2 4.45Å; M61-K65 WeakPolarHBondContact O-CB 3.48Å; M61-K65 VanDerWaalsContact O-CG 3.26Å; M61-K65 WeakPolarHBondContact O-CG 3.36Å; M61-K65 PolarHBondContact O-N 3.47Å
62Q95.5Very high90.6Very high133 Ų133102.6 Ų102.662%0.62151%0.509SS*.Hα-helixtrans-62.1-44171-74.4179-1.100111.5D58 K59 L64 K65 L66D58-Q62 WeakPolarHBondContact O-CB 3.3Å; D58-Q62 WeakPolarHBondContact O-CG 3.35Å; D58-Q62 PolarHBondContact O-N 2.93Å; K59-Q62 PolarHBondContact O-N 2.91Å; Q62-L64 PolarHBondContact O-N 3.21Å; Q62-K65 PolarHBondContact O-N 3.34Å; Q62-L66 WeakPolarHBondContact O-CB 3.46Å; Q62-L66 PolarHBondContact O-N 3.43Å
63K94.9Very high91.1Very high124 Ų124103 Ų10354%0.53952%0.516SS..Hα-helixtrans-61.2-43.2176.6-172.3175.8-177.2176.70112K59 Q60 L66 R67K59-K63 WeakPolarHBondContact O-CB 3.36Å; K59-K63 PolarHBondContact O-N 3.25Å; Q60-K63 PolarHBondContact O-N 3.02Å; K63-L66 PolarHBondContact O-N 3.01Å; K63-R67 WeakPolarHBondContact O-CG 3.24Å; K63-R67 PolarHBondContact O-N 3.33Å
64L94.8Very high91.5Very high102 Ų102104.5 Ų104.553%0.53451%0.509SS..Hα-helixtrans-64.8-44.1176.7-173.866.7000111.5Q60 M61 Q62 L66 R67 Q68Q60-L64 PolarHBondContact O-N 3.04Å; M61-L64 HydrophobicContact CE-CD2 4.22Å; M61-L64 PolarHBondContact O-N 3.33Å; M61-L64 HydrophobicContact SD-CD2 4.45Å; Q62-L64 PolarHBondContact O-N 3.21Å; L64-L66 PolarHBondContact O-N 3.13Å; L64-R67 PolarHBondContact O-N 2.83Å; L64-Q68 WeakPolarHBondContact O-CB 3.43Å; L64-Q68 PolarHBondContact O-N 2.85Å
65K93Very high91.6Very high131 Ų131102 Ų10257%0.5750%0.496SS*.Hα-helixtrans-59.6-45175.1-76.6174.1178.3177.80111.8M61 Q62 Q68 Q69M61-K65 WeakPolarHBondContact O-CB 3.48Å; M61-K65 VanDerWaalsContact O-CG 3.26Å; M61-K65 WeakPolarHBondContact O-CG 3.36Å; M61-K65 PolarHBondContact O-N 3.47Å; Q62-K65 PolarHBondContact O-N 3.34Å; K65-Q68 PolarHBondContact O-N 3.09Å; K65-Q69 WeakPolarHBondContact O-CG 3.31Å; K65-Q69 PolarHBondContact O-N 3.24Å
66L90.6Very high91.7Very high100 Ų100107 Ų10752%0.52451%0.513SS..Hα-helixtrans-63.2-44.1178.1-172.269.2000111.3Q62 K63 L64 Q68 Q69 L70Q62-L66 WeakPolarHBondContact O-CB 3.46Å; Q62-L66 PolarHBondContact O-N 3.43Å; K63-L66 PolarHBondContact O-N 3.01Å; L64-L66 PolarHBondContact O-N 3.13Å; L66-Q68 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 3.26Å; L66-Q69 PolarHBondContact O-N 3.4Å; L66-L70 HydrophobicContact CG-CD1 4.06Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 WeakPolarHBondContact O-CG 3.48Å; L66-L70 PolarHBondContact O-N 3.44Å
67R91Very high92.1Very high166 Ų166106.8 Ų106.863%0.62652%0.516SS*.Hα-helixtrans-61.9-41.6174.8-72.4-176.677179.46.4111.9K63 L64 L70 T71K63-R67 WeakPolarHBondContact O-CG 3.24Å; K63-R67 PolarHBondContact O-N 3.33Å; L64-R67 PolarHBondContact O-N 2.83Å; R67-L70 PolarHBondContact O-N 2.97Å; R67-T71 VanDerWaalsContact O-CB 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.36Å; R67-T71 PolarHBondContact O-N 3.49Å; R67-T71 PolarHBondContact O-OG1 2.77Å
68Q89.5Confident92.2Very high137 Ų137109.2 Ų109.264%0.6452%0.519SS*.Hα-helixtrans-63.5-43.5177.2-170.5174.522.200111.5L64 K65 L66 L70 T71 D72L64-Q68 WeakPolarHBondContact O-CB 3.43Å; L64-Q68 PolarHBondContact O-N 2.85Å; K65-Q68 PolarHBondContact O-N 3.09Å; L66-Q68 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 3.26Å; Q68-L70 PolarHBondContact O-N 3.28Å; Q68-T71 PolarHBondContact O-N 3.32Å; Q68-D72 PolarHBondContact O-N 2.97Å; Q68-D72 VanDerWaalsContact O-N 3.13Å
69Q85.4Confident92.1Very high96 Ų96109.8 Ų109.845%0.44951%0.514SS..Hα-helixtrans-64.2-38.1176.1-73.3178.64.600112.8K65 L66 L75 R79K65-Q69 WeakPolarHBondContact O-CG 3.31Å; K65-Q69 PolarHBondContact O-N 3.24Å; L66-Q69 PolarHBondContact O-N 3.4Å; Q69-L75 HydrophobicContact CG-CD1 4.35Å; Q69-R79 PolarHBondContact O-NH2 3.05Å
70L85.9Confident92.4Very high110 Ų110110.6 Ų110.658%0.57652%0.519SS*.Hα-helixtrans-72.3-32.1176.6-75.1166000112.9L66 R67 Q68L66-L70 HydrophobicContact CG-CD1 4.06Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 WeakPolarHBondContact O-CG 3.48Å; L66-L70 PolarHBondContact O-N 3.44Å; R67-L70 PolarHBondContact O-N 2.97Å; Q68-L70 PolarHBondContact O-N 3.28Å
71T91.1Very high92.6Very high111 Ų111113.9 Ų113.968%0.68153%0.534SS*.Hα-helixtrans-82.4-28.2-175.7-52.40000112.4R67 Q68 P73R67-T71 VanDerWaalsContact O-CB 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.36Å; R67-T71 PolarHBondContact O-N 3.49Å; R67-T71 PolarHBondContact O-OG1 2.77Å; Q68-T71 PolarHBondContact O-N 3.32Å; T71-P73 WeakPolarHBondContact O-CD 3.42Å
72D91.1Very high92.7Very high66 Ų66115.3 Ų115.335%0.35354%0.54SS..  trans-76108.8-179-172.1-10.9000111.4Q68 H74 L75 K76Q68-D72 PolarHBondContact O-N 2.97Å; Q68-D72 VanDerWaalsContact O-N 3.13Å; D72-H74 PolarHBondContact O-N 3.5Å; D72-H74 WeakPolarHBondContact OD1-CB 3.45Å; D72-H74 PolarHBondContact OD1-N 2.87Å; D72-L75 HydrophobicContact CB-CB 4.13Å; D72-L75 HydrophobicContact CB-CD1 3.99Å; D72-L75 HydrophobicContact CB-CG 4.12Å; D72-L75 PolarHBondContact O-N 2.83Å; D72-K76 PolarHBondContact O-N 3.24Å; D72-K76 VanDerWaalsContact O-N 3.13Å
73P93Very high92.8Very high92 Ų92115.6 Ų115.660%0.59754%0.535SS*.Hα-helixtrans-63.5-25.4-178.428.4-36.1000112.3T71 K76 K77T71-P73 WeakPolarHBondContact O-CD 3.42Å; P73-K76 PolarHBondContact O-N 3.32Å; P73-K77 WeakPolarHBondContact O-CG 3.38Å; P73-K77 PolarHBondContact O-N 3.36Å
74H93.5Very high92.9Very high110 Ų110113.9 Ų113.951%0.50953%0.532SS..Hα-helixtrans-72.7-41.1178.2179.4-92.4000111.4D72 K76 K77 R78D72-H74 PolarHBondContact O-N 3.5Å; D72-H74 WeakPolarHBondContact OD1-CB 3.45Å; D72-H74 PolarHBondContact OD1-N 2.87Å; H74-K76 VanDerWaalsContact C-N 3.29Å; H74-K76 PolarHBondContact O-N 3.37Å; H74-K77 PolarHBondContact O-N 2.94Å; H74-R78 PolarHBondContact CE1-NH2 3.4Å; H74-R78 PolarHBondContact O-N 3.11Å
75L90.3Very high93.1Very high53 Ų53113.8 Ų113.828%0.27753%0.531SS..Hα-helixtrans-65.6-33.4172.9-73.2176.6000112.1Q69 D72 R79Q69-L75 HydrophobicContact CG-CD1 4.35Å; D72-L75 HydrophobicContact CB-CB 4.13Å; D72-L75 HydrophobicContact CB-CD1 3.99Å; D72-L75 HydrophobicContact CB-CG 4.12Å; D72-L75 PolarHBondContact O-N 2.83Å; L75-R79 PolarHBondContact O-N 3.28Å
76K90.9Very high93.3Very high140 Ų140112.5 Ų112.561%0.60953%0.53SS*.Hα-helixtrans-63.1-50.7173.2-171.4177.5179.2178.70111.3D72 P73 H74 R78 R79 E80D72-K76 PolarHBondContact O-N 3.24Å; D72-K76 VanDerWaalsContact O-N 3.13Å; P73-K76 PolarHBondContact O-N 3.32Å; H74-K76 VanDerWaalsContact C-N 3.29Å; H74-K76 PolarHBondContact O-N 3.37Å; K76-R78 VanDerWaalsContact C-N 3.33Å; K76-R78 PolarHBondContact O-N 3Å; K76-R79 PolarHBondContact O-N 3.34Å; K76-E80 PolarHBondContact O-N 3.44Å
77K95.6Very high93.7Very high141 Ų141111.6 Ų111.661%0.61352%0.523SS*.Hα-helixtrans-59.1-42.3176.6-73.7-177.9178.9-1740112.5P73 H74 E80 Q81P73-K77 WeakPolarHBondContact O-CG 3.38Å; P73-K77 PolarHBondContact O-N 3.36Å; H74-K77 PolarHBondContact O-N 2.94Å; K77-E80 PolarHBondContact O-N 3.43Å; K77-Q81 VanDerWaalsContact O-CG 3.31Å; K77-Q81 WeakPolarHBondContact O-CG 3.06Å; K77-Q81 PolarHBondContact O-N 2.98Å
78R95.7Very high94Very high142 Ų142109.8 Ų109.854%0.53652%0.522SS..Hα-helixtrans-62.2-45.1177-177.5-179.5-70.6175.1-6.5112H74 K76 E80 Q81 E82H74-R78 PolarHBondContact CE1-NH2 3.4Å; H74-R78 PolarHBondContact O-N 3.11Å; K76-R78 VanDerWaalsContact C-N 3.33Å; K76-R78 PolarHBondContact O-N 3Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 2.88Å; R78-Q81 PolarHBondContact O-N 2.84Å; R78-E82 WeakPolarHBondContact O-CB 3.43Å; R78-E82 PolarHBondContact O-N 3.39Å
79R93.1Very high94.4Very high110 Ų110108.1 Ų108.142%0.41552%0.517SS..Hα-helixtrans-63.5-38.2176.2-88.1-174.6-76.7163.6-6.6112.5Q69 L75 K76 E82 R83Q69-R79 PolarHBondContact O-NH2 3.05Å; L75-R79 PolarHBondContact O-N 3.28Å; K76-R79 PolarHBondContact O-N 3.34Å; R79-E82 PolarHBondContact O-N 2.93Å; R79-R83 WeakPolarHBondContact O-CB 3.45Å; R79-R83 PolarHBondContact O-N 3.43Å
80E96.5Very high95Very high109 Ų109107.9 Ų107.951%0.50951%0.514SS..Hα-helixtrans-66.2-41.3176.1-172.9174.5-17100112K76 K77 R78 R83 L84K76-E80 PolarHBondContact O-N 3.44Å; K77-E80 PolarHBondContact O-N 3.43Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 2.88Å; E80-R83 PolarHBondContact O-N 3.12Å; E80-L84 WeakPolarHBondContact O-CG 3.45Å; E80-L84 PolarHBondContact O-N 2.8Å
81Q97.8Very high95.6Very high137 Ų137107 Ų10764%0.6451%0.507SS*.Hα-helixtrans-62.5-43.5173.1-73.7175.9-27.900112.3K77 R78 L84 L85K77-Q81 VanDerWaalsContact O-CG 3.31Å; K77-Q81 WeakPolarHBondContact O-CG 3.06Å; K77-Q81 PolarHBondContact O-N 2.98Å; R78-Q81 PolarHBondContact O-N 2.84Å; Q81-L84 PolarHBondContact O-N 2.99Å; Q81-L85 PolarHBondContact O-N 2.93Å
82E97.4Very high95.9Very high111 Ų111105.1 Ų105.152%0.51950%0.495SS..Hα-helixtrans-62.9-42.4175.2-177.1175.5-165.900111.5R78 R79 L84 L85 L86R78-E82 WeakPolarHBondContact O-CB 3.43Å; R78-E82 PolarHBondContact O-N 3.39Å; R79-E82 PolarHBondContact O-N 2.93Å; E82-L84 PolarHBondContact O-N 3.39Å; E82-L85 PolarHBondContact O-N 3.39Å; E82-L86 HydrophobicContact CG-CD1 4.31Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 3.25Å
83R97.5Very high96.2Very high140 Ų140107.6 Ų107.653%0.52850%0.504SS..Hα-helixtrans-59.5-45.5175.4-164.8-169.485.385.60.8111.8R79 E80 L86 E87R79-R83 WeakPolarHBondContact O-CB 3.45Å; R79-R83 PolarHBondContact O-N 3.43Å; E80-R83 PolarHBondContact O-N 3.12Å; R83-L86 PolarHBondContact O-N 3.5Å; R83-E87 PolarHBondContact O-N 2.94Å
84L98Very high96.3Very high88 Ų88107.4 Ų107.446%0.46150%0.496SS..Hα-helixtrans-62.8-42.5177.2-74.4169.7000111.9E80 Q81 E82 L86 E87 E88E80-L84 WeakPolarHBondContact O-CG 3.45Å; E80-L84 PolarHBondContact O-N 2.8Å; Q81-L84 PolarHBondContact O-N 2.99Å; E82-L84 PolarHBondContact O-N 3.39Å; L84-L86 PolarHBondContact O-N 3.48Å; L84-E87 PolarHBondContact O-N 3.49Å; L84-E88 WeakPolarHBondContact O-CG 3.35Å; L84-E88 PolarHBondContact O-N 3.47Å
85L98.4Very high96.4Very high99 Ų99106 Ų10652%0.51849%0.492SS..Hα-helixtrans-63.6-40.9177.4-176.467.9000112.1Q81 E82 E88 L89Q81-L85 PolarHBondContact O-N 2.93Å; E82-L85 PolarHBondContact O-N 3.39Å; L85-E88 PolarHBondContact O-N 2.96Å; L85-L89 HydrophobicContact CG-CD1 4.46Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.03Å
86L98.1Very high96.6Very high104 Ų104111.1 Ų111.155%0.54551%0.508SS..Hα-helixtrans-66.6-39176.5-71.6173.2000111.9E82 R83 L84 L89 K90E82-L86 HydrophobicContact CG-CD1 4.31Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 3.25Å; R83-L86 PolarHBondContact O-N 3.5Å; L84-L86 PolarHBondContact O-N 3.48Å; L86-L89 PolarHBondContact O-N 3.4Å; L86-K90 VanDerWaalsContact O-CB 3.31Å; L86-K90 WeakPolarHBondContact O-CB 3.31Å; L86-K90 PolarHBondContact O-N 2.95Å
87E98Very high96.7Very high82 Ų82108 Ų10838%0.38350%0.5SS..Hα-helixtrans-63.6-43174.5-165.666.7-140.300111.5R83 L84 L89 K90 Q91R83-E87 PolarHBondContact O-N 2.94Å; L84-E87 PolarHBondContact O-N 3.49Å; E87-L89 PolarHBondContact O-N 3.34Å; E87-K90 PolarHBondContact O-N 3.43Å; E87-Q91 WeakPolarHBondContact O-CB 3.42Å; E87-Q91 PolarHBondContact O-N 2.96Å
88E97.8Very high96.5Very high127 Ų127104 Ų10459%0.59349%0.493SS*.Hα-helixtrans-62-43.4174.4-73.8178.1-175.500112L84 L85 Q91 V92L84-E88 WeakPolarHBondContact O-CG 3.35Å; L84-E88 PolarHBondContact O-N 3.47Å; L85-E88 PolarHBondContact O-N 2.96Å; E88-Q91 PolarHBondContact O-N 3.35Å; E88-V92 VanDerWaalsContact O-CG2 3.3Å; E88-V92 WeakPolarHBondContact O-CG2 3.16Å; E88-V92 PolarHBondContact O-N 3.47Å
89L98Very high96.1Very high103 Ų103104.7 Ų104.754%0.53950%0.496SS..Hα-helixtrans-64.5-40.1176.6-75.8173.9000112.1L85 L86 E87 V92 H93L85-L89 HydrophobicContact CG-CD1 4.46Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.03Å; L86-L89 PolarHBondContact O-N 3.4Å; E87-L89 PolarHBondContact O-N 3.34Å; L89-V92 PolarHBondContact O-N 3.06Å; L89-H93 WeakPolarHBondContact O-CB 3.49Å; L89-H93 PolarHBondContact O-N 2.86Å
90K98.1Very high95.9Very high90 Ų90107.4 Ų107.439%0.39151%0.513SS..Hα-helixtrans-61.8-48174.4-178.2-176.7170.5-168.90110.7L86 E87 V92 H93 E94L86-K90 VanDerWaalsContact O-CB 3.31Å; L86-K90 WeakPolarHBondContact O-CB 3.31Å; L86-K90 PolarHBondContact O-N 2.95Å; E87-K90 PolarHBondContact O-N 3.43Å; K90-V92 VanDerWaalsContact C-N 3.35Å; K90-V92 PolarHBondContact O-N 2.96Å; K90-H93 WeakPolarHBondContact O-CB 3.36Å; K90-H93 PolarHBondContact O-N 2.82Å; K90-H93 VanDerWaalsContact O-N 3.11Å; K90-E94 WeakPolarHBondContact CE-OE1 3.42Å; K90-E94 WeakPolarHBondContact O-CG 3.31Å; K90-E94 PolarHBondContact O-N 3.5Å
91Q97.6Very high95.4Very high91 Ų91108.6 Ų108.643%0.42552%0.522SS..Hα-helixtrans-59.1-43.8175.9-173.36548.800111.9E87 E88 H93 E94 D95E87-Q91 WeakPolarHBondContact O-CB 3.42Å; E87-Q91 PolarHBondContact O-N 2.96Å; E88-Q91 PolarHBondContact O-N 3.35Å; Q91-H93 VanDerWaalsContact C-N 3.29Å; Q91-H93 PolarHBondContact O-N 2.86Å; Q91-E94 PolarHBondContact O-N 3.39Å; Q91-D95 PolarHBondContact NE2-OD1 3.19Å; Q91-D95 WeakPolarHBondContact O-CB 3.43Å; Q91-D95 VanDerWaalsContact O-CG 3.29Å; Q91-D95 PolarHBondContact O-N 3.47Å
92V97.2Very high94.6Very high73 Ų73109.3 Ų109.344%0.44252%0.519SS..Hα-helixtrans-63.6-36.2176.7169.10000111.8E88 L89 K90 R96E88-V92 VanDerWaalsContact O-CG2 3.3Å; E88-V92 WeakPolarHBondContact O-CG2 3.16Å; E88-V92 PolarHBondContact O-N 3.47Å; L89-V92 PolarHBondContact O-N 3.06Å; K90-V92 VanDerWaalsContact C-N 3.35Å; K90-V92 PolarHBondContact O-N 2.96Å; V92-R96 WeakPolarHBondContact O-CB 3.34Å; V92-R96 PolarHBondContact O-N 3.34Å
93H97Very high93.4Very high117 Ų117110.3 Ų110.354%0.54252%0.524SS..Hα-helixtrans-67.8-48.3174.9-178.974.7000111.2L89 K90 Q91 D95 R96 V97L89-H93 WeakPolarHBondContact O-CB 3.49Å; L89-H93 PolarHBondContact O-N 2.86Å; K90-H93 WeakPolarHBondContact O-CB 3.36Å; K90-H93 PolarHBondContact O-N 2.82Å; K90-H93 VanDerWaalsContact O-N 3.11Å; Q91-H93 VanDerWaalsContact C-N 3.29Å; Q91-H93 PolarHBondContact O-N 2.86Å; H93-D95 VanDerWaalsContact C-N 3.34Å; H93-D95 PolarHBondContact O-N 3.4Å; H93-R96 CarbonylContact O-C 3.58Å; H93-R96 WeakPolarHBondContact O-CA 3.36Å; H93-R96 WeakPolarHBondContact O-CB 3.44Å; H93-R96 PolarHBondContact O-N 3.19Å; H93-V97 WeakPolarHBondContact O-CG2 3.35Å; H93-V97 PolarHBondContact O-N 3.31Å
94E96.4Very high92.2Very high89 Ų89112.4 Ų112.442%0.41654%0.54SS..Hα-helixtrans-58.5-44175.3-71.9178.3-174.700111.4K90 Q91 R96 V97 A98K90-E94 WeakPolarHBondContact CE-OE1 3.42Å; K90-E94 WeakPolarHBondContact O-CG 3.31Å; K90-E94 PolarHBondContact O-N 3.5Å; Q91-E94 PolarHBondContact O-N 3.39Å; E94-R96 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.13Å; E94-V97 PolarHBondContact O-N 3.35Å; E94-A98 VanDerWaalsContact O-CB 3.24Å; E94-A98 WeakPolarHBondContact O-CB 3.23Å; E94-A98 PolarHBondContact O-N 2.92Å
95D95.3Very high91.1Very high79 Ų79112.1 Ų112.142%0.42255%0.545SS..Hα-helixtrans-63-31.7174.1-77.23.6000112.7Q91 H93 R99Q91-D95 PolarHBondContact NE2-OD1 3.19Å; Q91-D95 WeakPolarHBondContact O-CB 3.43Å; Q91-D95 VanDerWaalsContact O-CG 3.29Å; Q91-D95 PolarHBondContact O-N 3.47Å; H93-D95 VanDerWaalsContact C-N 3.34Å; H93-D95 PolarHBondContact O-N 3.4Å; D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 VanDerWaalsContact O-CG 3.3Å; D95-R99 WeakPolarHBondContact O-CG 3.37Å; D95-R99 PolarHBondContact O-N 2.97Å; D95-R99 PolarHBondContact O-NE 3.41Å; D95-R99 VanDerWaalsContact O-NE 3.12Å
96R94.2Very high89.8Confident162 Ų162112.5 Ų112.561%0.61155%0.548SS*.Hα-helixtrans-73.2-45.6174.8-174.9-174.6-64-167.3-0.6110.7V92 H93 E94 R99 H100V92-R96 WeakPolarHBondContact O-CB 3.34Å; V92-R96 PolarHBondContact O-N 3.34Å; H93-R96 CarbonylContact O-C 3.58Å; H93-R96 WeakPolarHBondContact O-CA 3.36Å; H93-R96 WeakPolarHBondContact O-CB 3.44Å; H93-R96 PolarHBondContact O-N 3.19Å; E94-R96 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.13Å; R96-R99 PolarHBondContact O-N 3.46Å; R96-H100 WeakPolarHBondContact O-CB 3.39Å; R96-H100 PolarHBondContact O-N 3.31Å
97V92.4Very high88.4Confident75 Ų75114 Ų11446%0.45555%0.547SS..Hα-helixtrans-62.9-43.1176.8172.90000110.3H93 E94 R99 H100 N101H93-V97 WeakPolarHBondContact O-CG2 3.35Å; H93-V97 PolarHBondContact O-N 3.31Å; E94-V97 PolarHBondContact O-N 3.35Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 3.08Å; V97-H100 PolarHBondContact O-N 3.32Å; V97-H100 VanDerWaalsContact O-N 3.13Å; V97-N101 WeakPolarHBondContact O-CB 3.26Å; V97-N101 PolarHBondContact O-N 3.34Å
98A91.2Very high87.3Confident56 Ų56115.8 Ų115.846%0.46356%0.564SS.*Hα-helixtrans-61.6-34.6175.800000112.6E94E94-A98 VanDerWaalsContact O-CB 3.24Å; E94-A98 WeakPolarHBondContact O-CB 3.23Å; E94-A98 PolarHBondContact O-N 2.92Å
99R88.8Confident86.1Confident156 Ų156116 Ų11659%0.58957%0.574SS**Hα-helixtrans-74.7-35.7172.9-77.6-177.3-70.5173.3-4.7113.2D95 R96 V97 R102D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 VanDerWaalsContact O-CG 3.3Å; D95-R99 WeakPolarHBondContact O-CG 3.37Å; D95-R99 PolarHBondContact O-N 2.97Å; D95-R99 PolarHBondContact O-NE 3.41Å; D95-R99 VanDerWaalsContact O-NE 3.12Å; R96-R99 PolarHBondContact O-N 3.46Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 3.08Å; R99-R102 PolarHBondContact O-N 3.37Å
100H88.2Confident84.8Confident168 Ų168119.6 Ų119.678%0.77859%0.588SS**Hα-helixtrans-71.9-32.9177.9-170.4-79000112R96 V97 R102R96-H100 WeakPolarHBondContact O-CB 3.39Å; R96-H100 PolarHBondContact O-N 3.31Å; V97-H100 PolarHBondContact O-N 3.32Å; V97-H100 VanDerWaalsContact O-N 3.13Å; H100-R102 PolarHBondContact O-N 3.13Å
101N85.1Confident83.2Confident133 Ų133117.9 Ų117.971%0.71160%0.596SS**SBendtrans-76.2-12177.6-159.632.7000113.3V97 Q103V97-N101 WeakPolarHBondContact O-CB 3.26Å; V97-N101 PolarHBondContact O-N 3.34Å; N101-Q103 PolarHBondContact O-N 3.49Å; N101-Q103 VanDerWaalsContact O-N 3.09Å
102R81.6Confident81.6Confident153 Ų153121.3 Ų121.358%0.57762%0.615SS**SBendtrans-73.898.4162.7-68.4179.2-175.3-170.2-1.4106.4R99 H100 E104 Y107R99-R102 PolarHBondContact O-N 3.37Å; H100-R102 PolarHBondContact O-N 3.13Å; R102-E104 PolarHBondContact O-N 2.9Å; R102-Y107 HydrophobicContact CB-CE2 4.35Å
103Q72.5Confident79.7Confident132 Ų132120.7 Ų120.762%0.61762%0.624SS**  trans-53.3142.3174.7-79.6-176.6-35.700108.4N101 S105 D106N101-Q103 PolarHBondContact O-N 3.49Å; N101-Q103 VanDerWaalsContact O-N 3.09Å; Q103-S105 WeakPolarHBondContact CB-OG 3.46Å; Q103-S105 PolarHBondContact O-N 3.36Å; Q103-S105 PolarHBondContact OE1-OG 3.32Å; Q103-D106 WeakPolarHBondContact O-CB 3.34Å; Q103-D106 PolarHBondContact O-N 2.93Å
104E72.3Confident78Confident183 Ų183120.7 Ų120.786%0.85564%0.637SS**G310 helixtrans-54.2-21.7174.3-64.3-179.8167.700111.9R102 D106 Y107R102-E104 PolarHBondContact O-N 2.9Å; E104-D106 VanDerWaalsContact C-N 3.31Å; E104-D106 PolarHBondContact O-N 2.8Å; E104-Y107 PolarHBondContact O-N 2.66Å
105S75.1Confident76.3Confident83 Ų83126 Ų12658%0.5866%0.659SS**G310 helixtrans-66.5-23172.954.50000115.1Q103 Y107Q103-S105 WeakPolarHBondContact CB-OG 3.46Å; Q103-S105 PolarHBondContact O-N 3.36Å; Q103-S105 PolarHBondContact OE1-OG 3.32Å; S105-Y107 PolarHBondContact O-N 3.39Å
106D71.9Confident74.4Confident107 Ų107128.3 Ų128.357%0.57268%0.681SS**G310 helixtrans-78.9-13.8179-63-19.1000111.9Q103 E104 T108Q103-D106 WeakPolarHBondContact O-CB 3.34Å; Q103-D106 PolarHBondContact O-N 2.93Å; E104-D106 VanDerWaalsContact C-N 3.31Å; E104-D106 PolarHBondContact O-N 2.8Å; D106-T108 VanDerWaalsContact C-N 3.33Å; D106-T108 PolarHBondContact O-N 2.91Å; D106-T108 VanDerWaalsContact O-N 3.12Å
107Y67.2Low72.6Confident134 Ų134123.8 Ų123.853%0.52569%0.685SS.*  trans-83.482.7169.1-62.5-86.7000108.5R102 E104 S105 V109R102-Y107 HydrophobicContact CB-CE2 4.35Å; E104-Y107 PolarHBondContact O-N 2.66Å; S105-Y107 PolarHBondContact O-N 3.39Å; Y107-V109 VanDerWaalsContact C-N 3.27Å; Y107-V109 PolarHBondContact O-N 3.31Å
108T75Confident71.1Confident120 Ų120124.7 Ų124.774%0.73670%0.701SS**  trans-62.4101.7155.352.20000106.2D106 E110D106-T108 VanDerWaalsContact C-N 3.33Å; D106-T108 PolarHBondContact O-N 2.91Å; D106-T108 VanDerWaalsContact O-N 3.12Å; T108-E110 PolarHBondContact O-N 3.29Å
109V73.9Confident69.3Low132 Ų132128 Ų12880%0.872%0.72SS**  trans-6091.7164.1174.20000105.2Y107 G111Y107-V109 VanDerWaalsContact C-N 3.27Å; Y107-V109 PolarHBondContact O-N 3.31Å; V109-G111 PolarHBondContact O-N 3.28Å
110E70.5Confident67.9Low178 Ų178123.8 Ų123.883%0.83273%0.726SS**  trans-60.989.4154-79-161.2168.700104.6T108 I112T108-E110 PolarHBondContact O-N 3.29Å; E110-I112 VanDerWaalsContact C-N 3.29Å; E110-I112 PolarHBondContact O-N 3.3Å
111G63.2Low66.7Low55 Ų55123.8 Ų123.857%0.56773%0.731SS**  trans-54.7106.4164.200000104.7V109 G113V109-G111 PolarHBondContact O-N 3.28Å; G111-G113 PolarHBondContact O-N 3.23Å
112I65.4Low65.9Low162 Ų162124.8 Ų124.883%0.83174%0.736SS**  trans-50.2102.8159-64.6169.2000103E110 S114E110-I112 VanDerWaalsContact C-N 3.29Å; E110-I112 PolarHBondContact O-N 3.3Å; I112-S114 PolarHBondContact O-N 3.14Å
113G57.5Low64.9Low60 Ų60125.3 Ų125.362%0.61975%0.751SS**  trans-51113.4-176.800000106.3G111 K115G111-G113 PolarHBondContact O-N 3.23Å; G113-K115 PolarHBondContact O-N 3.39Å
114S60.2Low64.4Low118 Ų118130.6 Ų130.683%0.82577%0.765SS**  trans-54.392.9163-59.80000104.9I112 S116I112-S114 PolarHBondContact O-N 3.14Å; S114-S116 PolarHBondContact O-N 3.18Å
115K61.4Low63.7Low200 Ų200127 Ų12787%0.8776%0.76SS**  trans-58.6105.1162.5-80.7-176.8173-179.80103.3G113 G117G113-K115 PolarHBondContact O-N 3.39Å; K115-G117 PolarHBondContact O-N 3.17Å
116S55Low62.7Low127 Ų127131.1 Ų131.189%0.88878%0.775SS**  trans-57.575.6161.438.70000107.6S114S114-S116 PolarHBondContact O-N 3.18Å
117G57.1Low62.1Low67 Ų67136 Ų13669%0.69179%0.787SS**  trans-97.2113.9168.500000106.7K115K115-G117 PolarHBondContact O-N 3.17Å
118A59.8Low61.7Low95 Ų95133.8 Ų133.879%0.78580%0.796SS**  trans-48.3142.8-175.600000114.5
119S53.8Low60.9Low124 Ų124133.7 Ų133.787%0.86780%0.795SS**  50.699.4127.9176.80000116.9
120G59.9Low59.9Low69 Ų69133.2 Ų133.271%0.71179%0.792SS**  trans-169.698.5161.200000109.9D122G120-D122 PolarHBondContact O-N 3.08Å; G120-D122 VanDerWaalsContact O-N 3.08Å
121D62.2Low59.2Low167 Ų167128.9 Ų128.989%0.89378%0.781SS**  trans-53.7106.3167.5-75.7-39.2000109.3
122D67.8Low59Low154 Ų154135.2 Ų135.282%0.82479%0.793SS**  trans-148.494162.1-90.2-36.7000109.4G120 R124G120-D122 PolarHBondContact O-N 3.08Å; G120-D122 VanDerWaalsContact O-N 3.08Å; D122-R124 VanDerWaalsContact C-N 3.27Å; D122-R124 PolarHBondContact O-N 3.13Å
123D62.1Low58.6Low165 Ų165134.2 Ų134.288%0.88279%0.788SS**  trans-62.483.5165.8-80.5-35.8000109.9
124R60.9Low58.9Low243 Ų243136.5 Ų136.592%0.91779%0.794SS**  trans-167.4131.2160.3-103.5143.7-168.3-140.75.7111.1D122D122-R124 VanDerWaalsContact C-N 3.27Å; D122-R124 PolarHBondContact O-N 3.13Å
125S57.8Low59.2Low107 Ų107137.1 Ų137.175%0.74879%0.787SS**  trans93.264.1160.2-1640000117.9Y127S125-Y127 PolarHBondContact O-N 3.34Å
126L54.8Low59.5Low170 Ų170133.3 Ų133.389%0.8978%0.783SS**  trans-91.571153-74.8170.8000110.6
127Y59.3Low59.5Low210 Ų210134.1 Ų134.182%0.82478%0.783SS**  trans-111.579.1150.4-80.6-80.8000107.1S125 V129S125-Y127 PolarHBondContact O-N 3.34Å; Y127-V129 VanDerWaalsContact C-N 3.27Å; Y127-V129 PolarHBondContact O-N 3.2Å
128A58.9Low59.3Low86 Ų86133.5 Ų133.571%0.71178%0.776SS**  trans-68.792.5165.800000107.8V130A128-V130 PolarHBondContact O-N 3.35Å
129V56.8Low59.1Low119 Ų119136.4 Ų136.472%0.72178%0.779SS**  trans-63.1102.5164172.50000106.5Y127 S131Y127-V129 VanDerWaalsContact C-N 3.27Å; Y127-V129 PolarHBondContact O-N 3.2Å; V129-S131 PolarHBondContact O-N 3.22Å
130V54.7Low59.2Low121 Ų121137.3 Ų137.373%0.73377%0.774SS**  trans-71.178.6170.2-177.90000107.7A128 K132A128-V130 PolarHBondContact O-N 3.35Å; V130-K132 HydrophobicContact CG1-CG 4.38Å; V130-K132 PolarHBondContact O-N 3.06Å
131S53.8Low59.2Low87 Ų87144.6 Ų144.661%0.60878%0.78SS**  trans-76.7101.7163.9-82.40000107.7V129 I133V129-S131 PolarHBondContact O-N 3.22Å; S131-I133 VanDerWaalsContact C-N 3.27Å; S131-I133 PolarHBondContact O-N 3.5Å
132K60.5Low59Low189 Ų189143.3 Ų143.382%0.82277%0.773SS**  trans-66.188.4167.3-70.1-175.1177.6-177.70108.8V130 S134V130-K132 HydrophobicContact CG1-CG 4.38Å; V130-K132 PolarHBondContact O-N 3.06Å; K132-S134 PolarHBondContact O-N 3.39Å
133I56.3Low58.4Low140 Ų140144.9 Ų144.972%0.71877%0.773SS**  trans-85.596.8162.3-58.9172.3000105.4S131 I135S131-I133 VanDerWaalsContact C-N 3.27Å; S131-I133 PolarHBondContact O-N 3.5Å; I133-I135 HydrophobicContact CG2-CG1 4.26Å; I133-I135 PolarHBondContact O-N 3.15Å; I133-I135 VanDerWaalsContact O-N 3.09Å
134S64.2Low57.9Low108 Ų108143 Ų14376%0.75577%0.772SS**  trans-65105.4164.6-65.20000107.4K132 P136K132-S134 PolarHBondContact O-N 3.39Å; S134-P136 VanDerWaalsContact O-CD 3.27Å; S134-P136 WeakPolarHBondContact O-CD 3.45Å
135I65.9Low57.6Low132 Ų132141.1 Ų141.168%0.67777%0.77SS**  trans-78.4115.4169-58.2173.8000106.3I133 T137I133-I135 HydrophobicContact CG2-CG1 4.26Å; I133-I135 PolarHBondContact O-N 3.15Å; I133-I135 VanDerWaalsContact O-N 3.09Å; I135-T137 PolarHBondContact O-N 3.02Å; I135-T137 VanDerWaalsContact O-N 3.12Å
136P67.9Low57.7Low119 Ų119144.2 Ų144.277%0.77378%0.775SS**  trans-7599.117130.3-31.2000108.7S134 G138S134-P136 VanDerWaalsContact O-CD 3.27Å; S134-P136 WeakPolarHBondContact O-CD 3.45Å; P136-G138 PolarHBondContact O-N 3.15Å
137T55.1Low57.3Low145 Ų145145.6 Ų145.689%0.8978%0.776SS**  trans-79.372.5160.533.20000108.7I135I135-T137 PolarHBondContact O-N 3.02Å; I135-T137 VanDerWaalsContact O-N 3.12Å
138G52.2Low57.4Low54 Ų54139.8 Ų139.856%0.55777%0.772SS**  trans-114.996171.600000109.5P136 D140P136-G138 PolarHBondContact O-N 3.15Å; G138-D140 PolarHBondContact O-N 3.33Å
139N55.6Low57.2Low156 Ų156145.6 Ų145.683%0.83478%0.781SS**  trans-74.163.8169.1-104-11.1000109.7R141N139-R141 PolarHBondContact O-N 3.38Å
140D56.1Low57.5Low143 Ų143145.8 Ų145.877%0.76579%0.785SS**  trans-9481.6170.8-73.6-21.3000109.3G138 N142G138-D140 PolarHBondContact O-N 3.33Å; D140-N142 PolarHBondContact O-N 3.26Å
141R59.6Low57.8Low222 Ų222144.3 Ų144.384%0.83879%0.785SS**  trans-70.776.2157-69.4-176.3-177.7-176.21.2108.5N139N139-R141 PolarHBondContact O-N 3.38Å
142N59.5Low57.6Low140 Ų140149.5 Ų149.575%0.74980%0.8SS**  trans-133.285.6163.9-81.7-35.4000109.8D140D140-N142 PolarHBondContact O-N 3.26Å
143F54.3Low57.9Low186 Ų186146.9 Ų146.982%0.81680%0.8SS**  trans28.1109.6142.5-73.5-89.2000117.7K145F143-K145 VanDerWaalsContact C-N 3.32Å; F143-K145 PolarHBondContact O-N 3.25Å
144C50.7Low57.5Low127 Ų127149.1 Ų149.186%0.85881%0.807SS**  trans-49.698.4145.8-68.20000109.1M146C144-M146 PolarHBondContact O-N 3.39Å
145K55.4Low57.4Low202 Ų202149.5 Ų149.588%0.87881%0.809SS**  trans-78.697.2165.4-166.4170.8-176.91800106.5F143 E147F143-K145 VanDerWaalsContact C-N 3.32Å; F143-K145 PolarHBondContact O-N 3.25Å; K145-E147 PolarHBondContact O-N 2.99Å
146M60.8Low57.2Low173 Ų173148.7 Ų148.785%0.85281%0.813SS**  trans-54132.1170.3-71.2-160.1-156.600109.8C144 A148C144-M146 PolarHBondContact O-N 3.39Å; M146-A148 PolarHBondContact O-N 3.15Å
147E45.5Very low56.2Low198 Ų198150.6 Ų150.693%0.92582%0.817SS**  trans-57107.3168.6-165.7-179.7178.300109.4K145K145-E147 PolarHBondContact O-N 2.99Å
148A62.1Low56.4Low88 Ų88151.9 Ų151.973%0.72782%0.817SS**  trans-123.3108.8168.600000108.2M146 P150M146-A148 PolarHBondContact O-N 3.15Å; A148-P150 WeakPolarHBondContact O-CD 3.48Å
149K54.9Low56.8Low208 Ų208154.4 Ų154.490%0.90483%0.826SS**PPolyproline II helixtrans-50.2118.2171.3-163.4-179.7-169-178.70110.4
150P63.2Low56.9Low123 Ų123153.1 Ų153.180%0.79983%0.827SS**PPolyproline II helixtrans-91.4127168.130.5-22.1000109.5A148A148-P150 WeakPolarHBondContact O-CD 3.48Å
151A59.1Low56.6Low90 Ų90154.3 Ų154.374%0.74483%0.832SS**PPolyproline II helixtrans-63.3152.8169.600000111.2V153A151-V153 PolarHBondContact O-N 3.16Å
152E49.6Very low55.8Low197 Ų197153.2 Ų153.292%0.92183%0.829SS**PPolyproline II helixtrans-48.5119.7174.2-60.8174.4160.100111.7
153V67Low55.5Low134 Ų134153.1 Ų153.181%0.81283%0.833SS**  trans-140.6129.5160.2-179.30000108.5A151A151-V153 PolarHBondContact O-N 3.16Å
154E49.5Very low55.4Low186 Ų186150.1 Ų150.187%0.86983%0.826SS**PPolyproline II helixtrans-47137.7-175.9-66.1168.713000114.5
155S60.8Low55Low116 Ų116151.3 Ų151.381%0.81182%0.824SS**PPolyproline II helixtrans-88.9123.7173-48.50000110.3
156P62Low54.7Low116 Ų116146 Ų14675%0.75382%0.817SS**PPolyproline II helixtrans-83.7132.316331.3-28.2000110.3L158P156-L158 PolarHBondContact O-N 3.46Å
157N47Very low53.8Low159 Ų159148.4 Ų148.485%0.8582%0.817SS**  trans-40.1121.6170.9-76.5-67.3000113.5
158L59.8Low54Low171 Ų171144.9 Ų144.990%0.89581%0.809SS**  trans-130.5114.1157.2-70.3177.1000109.3P156P156-L158 PolarHBondContact O-N 3.46Å
159S60.3Low53.1Low107 Ų107147 Ų14775%0.74881%0.813SS**PPolyproline II helixtrans-62.4153.2-177-460000113L161S159-L161 PolarHBondContact O-N 3.27Å
160P57.7Low52.8Low130 Ų130144.6 Ų144.684%0.84481%0.809SS**PPolyproline II helixtrans-69.6124.3174.8-8.524.5000110.2Y162P160-Y162 PolarHBondContact O-N 2.88Å
161L50.3Low52.1Low168 Ų168142.8 Ų142.888%0.8880%0.799SS**PPolyproline II helixtrans-62119.6171.5-93163.4000110.3S159 V163S159-L161 PolarHBondContact O-N 3.27Å; L161-V163 PolarHBondContact O-N 3.32Å
162Y41.6Very low51.5Low198 Ų198144.1 Ų144.178%0.77680%0.8SS**  trans-65.7112171.9-151.2-98.1000109.1P160 N164P160-Y162 PolarHBondContact O-N 2.88Å; Y162-N164 WeakPolarHBondContact CD1-OD1 3.42Å; Y162-N164 VanDerWaalsContact CE1-OD1 3.23Å; Y162-N164 WeakPolarHBondContact CE1-OD1 3.18Å
163V53.5Low51.8Low138 Ų138139.4 Ų139.484%0.83679%0.785SS**  trans-94.3107.2169.2-177.40000107.5L161L161-V163 PolarHBondContact O-N 3.32Å
164N52Low50.5Low124 Ų124140.1 Ų140.166%0.66378%0.784SS**  trans-68.8143.2177.6-92-30.5000112.3Y162 A166Y162-N164 WeakPolarHBondContact CD1-OD1 3.42Å; Y162-N164 VanDerWaalsContact CE1-OD1 3.23Å; Y162-N164 WeakPolarHBondContact CE1-OD1 3.18Å; N164-A166 PolarHBondContact O-N 2.99Å
165D42Very low50.6Low151 Ų151140.9 Ų140.981%0.80778%0.781SS**  trans-37.5122.2165.3-94.9-38.2000113.8
166A50.2Low50.2Low90 Ų90141 Ų14174%0.74478%0.778SS**  trans-111.795155.500000108.2N164 T168N164-A166 PolarHBondContact O-N 2.99Å; A166-T168 PolarHBondContact O-N 3.49Å; A166-T168 VanDerWaalsContact O-N 3.07Å
167R42.2Very low49.1Very low224 Ų224141.4 Ų141.485%0.84578%0.779SS**  trans-62.997.6165.8-74.6176.9167.3-175.5-4.4109.5V169R167-V169 PolarHBondContact O-N 2.86Å
168T50.1Low49Very low124 Ų124138.6 Ų138.676%0.76178%0.777SS**  trans-8897.3160.417.20000109A166 L170A166-T168 PolarHBondContact O-N 3.49Å; A166-T168 VanDerWaalsContact O-N 3.07Å; T168-L170 PolarHBondContact O-N 3.44Å; T168-L170 VanDerWaalsContact O-N 3.13Å
169V42.7Very low48Very low132 Ų132137 Ų13780%0.877%0.77SS**  trans-67.298.7164.9179.10000107.2R167R167-V169 PolarHBondContact O-N 2.86Å
170L48.3Very low47.2Very low159 Ų159139.7 Ų139.783%0.83278%0.775SS**  trans-98.8114.6163.7-70.6177000108.1T168T168-L170 PolarHBondContact O-N 3.44Å; T168-L170 VanDerWaalsContact O-N 3.13Å
171S48.5Very low46.7Very low85 Ų85141 Ų14159%0.59477%0.774SS**  trans-53.8148.917949.20000113.1V173S171-V173 PolarHBondContact O-N 3.1Å
172P47Very low46.3Very low117 Ų117141.7 Ų141.776%0.7677%0.773SS**  trans-67.8118.4169.7-1.517.9000108.6D174P172-D174 PolarHBondContact O-N 3.49Å
173V55.4Low46.6Very low99 Ų99139.9 Ų139.960%0.678%0.777SS**  trans-84.1110.4166172.60000107S171 Y175S171-V173 PolarHBondContact O-N 3.1Å; V173-Y175 HydrophobicContact CB-CE2 4.42Å; V173-Y175 HydrophobicContact CG1-CD2 4.34Å; V173-Y175 HydrophobicContact CG1-CE2 3.89Å; V173-Y175 PolarHBondContact O-N 3.48Å
174D39.8Very low45.9Very low149 Ų149136.6 Ų136.680%0.79777%0.771SS**PPolyproline II helixtrans-61.8118.3170.6-65.9-48.6000109.8P172P172-D174 PolarHBondContact O-N 3.49Å
175Y51.9Low45.9Very low202 Ų202138.2 Ų138.279%0.79278%0.778SS**PPolyproline II helixtrans-99.9131.4165.4-76-80.8000109.8V173V173-Y175 HydrophobicContact CB-CE2 4.42Å; V173-Y175 HydrophobicContact CG1-CD2 4.34Å; V173-Y175 HydrophobicContact CG1-CE2 3.89Å; V173-Y175 PolarHBondContact O-N 3.48Å
176P52.6Low46.2Very low118 Ų118138.8 Ų138.877%0.76678%0.781SS**PPolyproline II helixtrans-74.5134-178.230-32.2000110.9A178P176-A178 PolarHBondContact O-N 3.07Å; P176-A178 VanDerWaalsContact O-N 3.1Å
177T38.2Very low46.3Very low125 Ų125142.2 Ų142.277%0.76779%0.787SS**  trans-49.5105.8163.6-54.90000110.9
178A45.4Very low46.3Very low99 Ų99135.3 Ų135.382%0.81877%0.773SS**  trans-9696164.300000109P176P176-A178 PolarHBondContact O-N 3.07Å; P176-A178 VanDerWaalsContact O-N 3.1Å
179N39.4Very low46.4Very low138 Ų138137.6 Ų137.674%0.73878%0.781SS**  trans-68.3156.2153.5-73.2-38.9000108.9
180L42.9Very low46.5Very low164 Ų164141.2 Ų141.286%0.85978%0.78SS**  trans84.689.6158.3-137.791.4000116.5
181L46.7Very low46.6Very low158 Ų158145 Ų14583%0.82779%0.785SS**  -173.2103.4124.6-103.9145.5000111.2
182E41.9Very low46.5Very low182 Ų182148.8 Ų148.885%0.8580%0.797SS**  trans-59.4120.5161.9-173.8176.6-160.700109.8
183N48.9Very low46.8Very low159 Ų159154.7 Ų154.785%0.8581%0.805SS**  trans172.1114.8163.3-82.2-28.9000105.4
184G39.1Very low46.7Very low70 Ų70156.5 Ų156.572%0.72282%0.816SS**  cis128.380.326.900000107.7
185I51.9Low47.1Very low157 Ų157157.3 Ų157.381%0.80582%0.817SS**  trans-146.486162.3-47.3178000108.8
186N47.8Very low47Very low163 Ų163155.3 Ų155.387%0.87282%0.815SS**  trans-85.4114.2170.5-71.6-30.4000109.1S188N186-S188 PolarHBondContact O-N 3.44Å
187N51.4Low46.8Very low162 Ų162155.8 Ų155.887%0.86681%0.81SS**  trans-86.4108.2165.2-90.8-19.2000110.1
188S43.6Very low47.1Very low79 Ų79157.1 Ų157.155%0.55281%0.808SS**  trans-59130.5175-173.40000112N186N186-S188 PolarHBondContact O-N 3.44Å
189N51.1Low47Very low173 Ų173159.4 Ų159.493%0.92581%0.806SS**  trans-134.9111.9141.1-93.7-37.2000109.1
190R44.8Very low47.4Very low208 Ų208159 Ų15979%0.78581%0.808SS**  trans-70.8135.2-174.3-54171.7-163.71802.9110.1
191Y51.2Low47.4Very low238 Ų238155.7 Ų155.793%0.93380%0.799SS**  trans-146.1134.4133.6-86.1-71.7000110
192L46.2Very low47.3Very low164 Ų164154.3 Ų154.386%0.85980%0.797SS**  trans-67.3141.2-169.4-71.4122.5000113.7
193R51.9Low47.6Very low242 Ų242151.5 Ų151.591%0.91380%0.798SS**  trans-127.9128.5146.9-100.5-165-171-167.14.6109.3
194T54.2Low47.4Very low136 Ų136150.2 Ų150.283%0.83480%0.796SS**  trans-69.4136.7174.729.20000112
195M48.4Very low47.9Very low167 Ų167151.8 Ų151.882%0.82379%0.793SS**  trans-63157.9163.6-61-90.590.500109.7
196E48.8Very low47.8Very low160 Ų160153.4 Ų153.475%0.74879%0.794SS**  -175.9143.272.2-108.8-168.8117.100112.1
197L48.2Very low47.6Very low127 Ų127150.2 Ų150.267%0.66579%0.785SS**  trans59.2143.5140.4-52.2-178.9000119.7
198Q44.6Very low47.6Very low154 Ų154150.1 Ų150.172%0.7278%0.784SS**  cis-165.9147.95.7-126.7167.716.900109
199N44.3Very low47.9Very low147 Ų147150.6 Ų150.679%0.78679%0.792SS**  trans1.8140.3154.1-65.1-24.9000121
200V48.3Very low47.4Very low129 Ų129147.9 Ų147.978%0.78279%0.787SS**  174119.5103156.70000111.2
201S41.3Very low48.2Very low94 Ų94144 Ų14466%0.65779%0.789SS**  trans62.9111.3138-54.50000124.8
202T44.4Very low48.4Very low130 Ų130142.1 Ų142.180%0.79879%0.785SS**  51.7112123.563.50000121.2
203S48.9Very low49.2Very low122 Ų122139.5 Ų139.585%0.85378%0.781SS**  178.8123.9114.641.80000111.9
204T44.2Very low49.4Very low133 Ų133135.1 Ų135.182%0.81677%0.774SS**  trans-76.5-179160.637.40000110
205P50.2Low49.8Very low103 Ų103136.3 Ų136.367%0.66977%0.774SS**  cis-133.4-171.9-11.721.14.9000112.6
206K49.1Very low50.3Low190 Ų190137.4 Ų137.483%0.82677%0.774SS**  trans114.9112146.5-64176-177.8172.40117.1
207S45.5Very low50.5Low96 Ų96139.7 Ų139.767%0.67178%0.782SS**  93.1141.7120.2-153.60000119.2
208L51.2Low51.2Low161 Ų161139.2 Ų139.284%0.84379%0.789SS**  trans80132.8160.8-46.3175.1000114.9
209A48.8Very low51.9Low89 Ų89141.3 Ų141.374%0.73680%0.796SS**  cis-169.5140.7000000108.5
210S41.7Very low52.8Low115 Ų115140.5 Ų140.580%0.80480%0.799SS**  trans-70134.6163.1-66.60000110.7K212S210-K212 PolarHBondContact O-N 3.37Å
211P61.5Low53.1Low128 Ų128142.5 Ų142.583%0.83180%0.804SS**  trans-80.8107.4170.129.5-27.8000110.1S213P211-S213 PolarHBondContact O-N 3.42Å
212K54.9Low53.3Low198 Ų198142.8 Ų142.886%0.86181%0.806SS**  trans-66.8113.4162.1-83.1176.9166.7171.80108.7S210 I214S210-K212 PolarHBondContact O-N 3.37Å; K212-I214 PolarHBondContact O-N 3.09Å
213S63.6Low53.5Low109 Ų109141.5 Ų141.576%0.76281%0.809SS**  trans-72.3112.7167.662.50000109.7P211 L215P211-S213 PolarHBondContact O-N 3.42Å; S213-L215 VanDerWaalsContact C-N 3.35Å; S213-L215 PolarHBondContact O-N 2.87Å; S213-L215 VanDerWaalsContact O-N 3.16Å
214I55.9Low53.6Low150 Ų150143.3 Ų143.377%0.76980%0.804SS**  trans-81.684.2172-57.1168.3000106.7K212 K216K212-I214 PolarHBondContact O-N 3.09Å; I214-K216 HydrophobicContact CG2-CG 4.31Å; I214-K216 PolarHBondContact O-N 3.29Å; I214-K216 VanDerWaalsContact O-N 3.09Å
215L62Low53.8Low161 Ų161143.1 Ų143.184%0.84380%0.797SS**  trans-75.593.2169.3-139.388.2000108.3S213 K217S213-L215 VanDerWaalsContact C-N 3.35Å; S213-L215 PolarHBondContact O-N 2.87Å; S213-L215 VanDerWaalsContact O-N 3.16Å; L215-K217 PolarHBondContact O-N 3.32Å
216K59.2Low53.5Low189 Ų189145 Ų14582%0.82280%0.801SS**PPolyproline II helixtrans-63116.5170.9-84174.6172.1175.10109.4I214 S218I214-K216 HydrophobicContact CG2-CG 4.31Å; I214-K216 PolarHBondContact O-N 3.29Å; I214-K216 VanDerWaalsContact O-N 3.09Å; K216-S218 PolarHBondContact O-N 2.92Å
217K52.8Low53.5Low208 Ų208144.1 Ų144.190%0.90480%0.804SS**PPolyproline II helixtrans-65.1116.6168-63.6-178176.2-177.30109.5L215L215-K217 PolarHBondContact O-N 3.32Å
218S63.2Low53.4Low118 Ų118145 Ų14583%0.82581%0.81SS**PPolyproline II helixtrans-84.5133.2161.542.80000109.6K216K216-S218 PolarHBondContact O-N 2.92Å
219K59.2Low53.8Low197 Ų197143 Ų14386%0.85781%0.807SS**PPolyproline II helixtrans-64.9144.9175.8-92158.1167.2169.10111.2L221K219-L221 PolarHBondContact O-N 3.29Å
220P63.5Low53.7Low130 Ų130144.7 Ų144.784%0.84481%0.808SS**PPolyproline II helixtrans-74.9119.5165.130.5-29.9000109.3
221L53.3Low54.7Low171 Ų171145.7 Ų145.790%0.89581%0.809SS**PPolyproline II helixtrans-77122.8164.5-98.4155.5000108.3K219 A223K219-L221 PolarHBondContact O-N 3.29Å; L221-A223 PolarHBondContact O-N 3.42Å
222S45.6Very low54.1Low100 Ų100145.7 Ų145.770%0.69980%0.802SS**PPolyproline II helixtrans-65.5119.4170.156.40000110
223A49.8Very low53.8Low104 Ų104142.9 Ų142.986%0.8680%0.796SS**  trans-95.4103.9161.700000107.4L221L221-A223 PolarHBondContact O-N 3.42Å
224Q50.5Low53.3Low160 Ų160143.2 Ų143.275%0.74879%0.794SS**  trans-72.6133.9167.9-71.3-157.72700109.5
225L48.6Very low52.8Low128 Ų128147.3 Ų147.367%0.6780%0.8SS**  44.7120.9128.5-64.2166.6000119.5
226L44.5Very low52.2Low142 Ų142147.5 Ų147.574%0.74380%0.801SS**  trans65.5113130-61.1168.8000116.5
227L47.3Very low51.9Low172 Ų172147.6 Ų147.690%0.90180%0.804SS**  -172.9108.9122.3-115.972.6000108.7
228S43.6Very low52Low114 Ų114146.2 Ų146.280%0.79780%0.801SS**  trans-78.8150.8165.1-45.70000109.7
229P61.2Low51.3Low121 Ų121149 Ų14979%0.78680%0.801SS**  trans-104.1132.215231.6-22.2000111.3
230V46.9Very low50.9Low123 Ų123148.2 Ų148.275%0.74580%0.8SS**  trans-55.9137.3164.4165.10000110.8
231V62.7Low50.5Low137 Ų137149.3 Ų149.383%0.8380%0.798SS**  trans-138.1110.1155.5-168.70000107.2
232D47.9Very low50.6Low128 Ų128147.9 Ų147.968%0.68479%0.79SS**  trans-65.4139.5162.4-72.8-55.6000109.7
233D49.3Very low51Low138 Ų138148.6 Ų148.674%0.73880%0.795SS**  164.4116116.2-104.2-42000112.6
234T52.8Low51.2Low116 Ų116155 Ų15571%0.71280%0.797SS**  41.8134.7129.457.60000122.5
235R45.9Very low51Low237 Ų237155.2 Ų155.289%0.89480%0.798SS**  trans78.9101.6157.8-66.7175.882.5166.55.2117.9
236L49.2Very low51.3Low164 Ų164157 Ų15786%0.85981%0.807SS**  trans-165.469.7133-102.6163.8000109.2
237E52.7Low51.8Low191 Ų191157.8 Ų157.889%0.89381%0.812SS**  trans-76.5108.4148.8-77.4-160.515000106.2
238E54.2Low51.9Low180 Ų180157.3 Ų157.384%0.84181%0.81SS**  trans159.561.8160.8-92.9178.6178.700109.5
239Q48.1Very low52.2Low176 Ų176163.1 Ų163.182%0.82282%0.815SS**SBendtrans-150.76163.8-127.7173.724.500116.3
240E52.1Low51.8Low181 Ų181165.3 Ų165.385%0.84682%0.82SS**SBendtrans-94.52-175.7-141.7178.3161.900114.9
241I54.9Low51.8Low153 Ų153166.8 Ų166.879%0.78582%0.824SS**SBendtrans-103.6-13-174.4-58.7176.1000113.2
242L54.3Low51.4Low141 Ų141168.2 Ų168.274%0.73883%0.826SS**SBendtrans-91.3-10.6-176.4-71.2172.6000115.5
243S54.4Low51.3Low114 Ų114167.6 Ų167.680%0.79783%0.832SS**THydrogen-bonded Turntrans-93.90.9-174.4-59.60000115.2
244R54.3Low51.3Low238 Ų238172 Ų17290%0.89884%0.838SS**THydrogen-bonded Turntrans-105.24.4-178.5-74.7-174.1176.6-113.22115.4
245Q45.7Very low51Low166 Ų166171.4 Ų171.478%0.77684%0.839SS**SBendtrans-113.515.7-167.7-136.3-178.41300116.4
246L54.8Low50.9Low165 Ų165165.7 Ų165.786%0.86484%0.835SS**SBendtrans-115.814.8-175.9-71.8178.6000116.4
247N55.3Low50.8Low159 Ų159162.7 Ų162.785%0.8583%0.834SS**SBendtrans-111.44.1-178-101.50000117.3
248D49.9Very low50.1Low161 Ų161159 Ų15986%0.86183%0.829SS**  trans-120.274.8-179.2-71-37.7000112.5
249R50.5Low50Low236 Ų236156 Ų15689%0.89183%0.825SS**  trans-167.484.7165.3-116.1171.8174.5176.3-1.1111.6
250N52.1Low49.9Very low167 Ų167152.5 Ų152.589%0.89382%0.82SS**  trans-170.269.8151.2-93.3-18.6000110.5
251N46.8Very low49.3Very low155 Ų155149.9 Ų149.983%0.82981%0.812SS**  trans-143.395.2164.4-89.5-33.9000107.1
252L54.3Low48.5Very low167 Ų167150.5 Ų150.587%0.87481%0.811SS**  trans-177.992.7162-95.8137.3000110.3
253S45.1Very low47.9Very low115 Ų115149.5 Ų149.580%0.80482%0.815SS**  trans-170.4106.9131.5-830000107.8
254R50.1Low47.6Very low229 Ų229149.3 Ų149.386%0.86481%0.813SS**  49.2116.983.7-92.1-177.3172.2-165.4-2.2109.9
255S45.5Very low47.4Very low105 Ų105149.7 Ų149.773%0.73482%0.815SS**  cis-166.8156.330.5-57.50000110.5
256S44.8Very low48.2Very low116 Ų116146.8 Ų146.881%0.81181%0.811SS**  trans-53.5142.1167.4500000116.2
257A47Very low47.9Very low102 Ų102146.7 Ų146.784%0.84381%0.811SS**  175.1119.3128.100000111.5
258S38.5Very low47.9Very low114 Ų114148.2 Ų148.280%0.79781%0.81SS**  trans-73-176.1163-610000111.5
259P51.6Low48.1Very low115 Ų115149 Ų14975%0.74781%0.81SS**  -130.5-169.5-60.337.6-20.4000111.2
260S45.5Very low48.7Very low103 Ų103148.3 Ų148.372%0.7281%0.808SS**  trans110.6116.3158.388.10000117.8
261N40.9Very low49.5Very low127 Ų127145.8 Ų145.868%0.67980%0.8SS**  trans46.8139.5139.8-55.6-26.3000123.3
262H38.2Very low50.6Low166 Ų166147.3 Ų147.377%0.76980%0.803SS**  trans73.399.7156.3-35.1-63.4000116.1
263C41Very low51.6Low119 Ų119145.1 Ų145.180%0.80480%0.796SS**  177.3121.2124.4-1050000111.9
264S46.9Very low52.6Low110 Ų110144.7 Ų144.777%0.76979%0.791SS**  46.7113.7125.9-50.40000119.4
265R51.5Low53.8Low246 Ų246139 Ų13993%0.92879%0.786SS**  trans-37.3129.9163.5-67.8175.8168.7-159.7-3.4113.2
266P61.3Low55.1Low106 Ų106141.7 Ų141.769%0.68879%0.785SS**  trans-87110.2156.731.1-26000109.2K268P266-K268 PolarHBondContact O-N 3.45Å
267N49.1Very low56.1Low163 Ų163142 Ų14287%0.87278%0.784SS**  trans-64.194.1165.3-131.60.2000107.8M269N267-M269 PolarHBondContact O-N 2.91Å
268K56.2Low56.9Low190 Ų190143.6 Ų143.683%0.82678%0.778SS**  trans-91.1101.9171.3-78.2-174.2179.6-178.60108.8P266 R270P266-K268 PolarHBondContact O-N 3.45Å; K268-R270 PolarHBondContact O-N 3.3Å; K268-R270 VanDerWaalsContact O-N 3.14Å
269M52.6Low58.3Low177 Ų177148.4 Ų148.487%0.87278%0.778SS**  trans-38.8110.1171.8-52.5-133.294.600111.3N267N267-M269 PolarHBondContact O-N 2.91Å
270R64.7Low58.8Low223 Ų223154.5 Ų154.584%0.84279%0.786SS**PPolyproline II helixtrans-81.2124.8157-172.4177.5-174133.7-0.5105.6K268 E272K268-R270 PolarHBondContact O-N 3.3Å; K268-R270 VanDerWaalsContact O-N 3.14Å; R270-E272 PolarHBondContact O-N 2.94Å
271P68.9Low59.8Low113 Ų113155.7 Ų155.773%0.73479%0.79SS**PPolyproline II helixtrans-59.2125.7172.823.5-30.5000108.3T273P271-T273 PolarHBondContact O-N 2.84Å
272E69.9Low61Low188 Ų188157.6 Ų157.688%0.87979%0.794SS**PPolyproline II helixtrans-58.9119.7171.3-75.9-175.3152.200108.2R270R270-E272 PolarHBondContact O-N 2.94Å
273T73.7Confident62.7Low120 Ų120155.7 Ų155.774%0.73679%0.794SS**PPolyproline II helixtrans-56122.9171.4-410000107.4P271 S275P271-T273 PolarHBondContact O-N 2.84Å; T273-S275 PolarHBondContact O-N 3.27Å
274P67.8Low64.3Low107 Ų107155.7 Ų155.770%0.69579%0.793SS**  trans-58.6106.7177.922.3-31.2000108.2F276P274-F276 PolarHBondContact O-N 3.45Å; P274-F276 VanDerWaalsContact O-N 3.15Å
275S74.6Confident65.6Low108 Ų108157.3 Ų157.376%0.75579%0.792SS**  trans-72106.5174.1-170.40000106.4T273T273-S275 PolarHBondContact O-N 3.27Å
276F72Confident67Low163 Ų163150 Ų15072%0.71578%0.777SS**  trans-55137169.3-73.8-84.6000108P274 L278P274-F276 PolarHBondContact O-N 3.45Å; P274-F276 VanDerWaalsContact O-N 3.15Å; F276-L278 VanDerWaalsContact C-N 3.27Å; F276-L278 PolarHBondContact O-N 2.86Å
277P67.1Low67.9Low121 Ų121152.8 Ų152.879%0.78678%0.775SS**  trans-59.692.5174.3-1930000109.2R279P277-R279 PolarHBondContact O-N 2.83Å
278L62.6Low69.3Low137 Ų137149.9 Ų149.972%0.71776%0.756SS**  trans-66.795.2164.9-94.284.3000105.5F276 R280F276-L278 VanDerWaalsContact C-N 3.27Å; F276-L278 PolarHBondContact O-N 2.86Å; L278-R280 PolarHBondContact O-N 3.07Å
279R67.9Low70.5Confident215 Ų215145 Ų14581%0.81174%0.744SS**  trans-59.698.2156.9-73.2-163.6155155.1-2106.1P277 T281P277-R279 PolarHBondContact O-N 2.83Å; R279-T281 PolarHBondContact O-N 3.2Å
280R63.7Low71.6Confident242 Ų242144 Ų14491%0.91374%0.74SS**THydrogen-bonded Turntrans-61.63.6-177.1-83-176.5150.1137.2-3114.5L278L278-R280 PolarHBondContact O-N 3.07Å
281T65.7Low72.1Confident129 Ų129139.7 Ų139.779%0.79173%0.734SS**THydrogen-bonded Turntrans-101.1-4.7-174.450.10000114.1R279R279-T281 PolarHBondContact O-N 3.2Å
282E66.2Low72Confident166 Ų166140.2 Ų140.278%0.77672%0.722SS**  trans-157.676.1-178.3-128.7174.3-178.300111.8P284E282-P284 VanDerWaalsContact O-CD 3.32Å; E282-P284 WeakPolarHBondContact O-CD 3.43Å
283T73.5Confident71.9Confident126 Ų126135.4 Ų135.477%0.77371%0.709SS**  trans-70.9113.5152.528.60000106.6L285T283-L285 PolarHBondContact O-N 3.47Å; T283-L285 VanDerWaalsContact O-N 3.1Å
284P73.7Confident71.4Confident119 Ų119136.8 Ų136.877%0.77371%0.712SS**PPolyproline II helixtrans-57.8121.8179.822.8-31.8000108.6E282E282-P284 VanDerWaalsContact O-CD 3.32Å; E282-P284 WeakPolarHBondContact O-CD 3.43Å
285L75.9Confident71.2Confident144 Ų144135.9 Ų135.975%0.75471%0.714SS**PPolyproline II helixtrans-53.4139.8173.4-85.2142.3000108.8T283 Y287T283-L285 PolarHBondContact O-N 3.47Å; T283-L285 VanDerWaalsContact O-N 3.1Å; L285-Y287 PolarHBondContact O-N 3.42Å
286P80.9Confident70.5Confident93 Ų93134.5 Ų134.560%0.60472%0.716SS**PPolyproline II helixtrans-53.1131.7174.521.8-31.5000109.5H288P286-H288 PolarHBondContact O-CD2 3.46Å; P286-H288 VanDerWaalsContact O-CD2 3.24Å; P286-H288 PolarHBondContact O-N 3.35Å
287Y78.5Confident69.6Low165 Ų165132 Ų13265%0.64772%0.719SS**  trans-60.7104.2-176.8-162.6-88.5000109.7L285 P289 Y292L285-Y287 PolarHBondContact O-N 3.42Å; Y287-P289 WeakPolarHBondContact O-CD 3.5Å; Y287-Y292 HydrophobicContact CD1-CD2 4.33Å; Y287-Y292 AromaticContact CD2-CD2 3.93Å; Y287-Y292 HydrophobicContact CD2-CD2 3.93Å; Y287-Y292 AromaticContact CD2-CE2 3.81Å; Y287-Y292 HydrophobicContact CD2-CE2 3.81Å; Y287-Y292 HydrophobicContact CE1-CD2 4.12Å; Y287-Y292 HydrophobicContact CE1-CG 4.43Å; Y287-Y292 HydrophobicContact CE2-CD1 4.25Å; Y287-Y292 AromaticContact CE2-CD2 3.71Å; Y287-Y292 HydrophobicContact CE2-CD2 3.71Å; Y287-Y292 HydrophobicContact CE2-CE1 4.44Å; Y287-Y292 AromaticContact CE2-CE2 3.92Å; Y287-Y292 HydrophobicContact CE2-CE2 3.92Å; Y287-Y292 AromaticContact CE2-CG 3.88Å; Y287-Y292 HydrophobicContact CE2-CG 3.88Å; Y287-Y292 HydrophobicContact CG-CD2 4.25Å; Y287-Y292 HydrophobicContact CG-CE2 4.28Å; Y287-Y292 AromaticContact CZ-CD2 3.81Å; Y287-Y292 AromaticContact CZ-CG 3.82Å
288H79.8Confident69Low102 Ų102130.5 Ų130.547%0.47272%0.717SS.*  trans-90.8112.1172.3-77-75.7000108.6P286 L290 L291P286-H288 PolarHBondContact O-CD2 3.46Å; P286-H288 VanDerWaalsContact O-CD2 3.24Å; P286-H288 PolarHBondContact O-N 3.35Å; H288-L290 PolarHBondContact O-N 2.85Å; H288-L291 HydrophobicContact CB-CB 4.46Å; H288-L291 HydrophobicContact CB-CD1 4.08Å; H288-L291 HydrophobicContact CB-CG 4.1Å; H288-L291 PolarHBondContact O-N 3.24Å
289P81.1Confident68.7Low88 Ų88131.1 Ų131.157%0.57172%0.721SS**THydrogen-bonded Turntrans-57.6-23-177.618.7-29.6000113.4Y287 S293Y287-P289 WeakPolarHBondContact O-CD 3.5Å; P289-S293 PolarHBondContact O-OG 3.15Å
290L76.4Confident68Low154 Ų154127 Ų12781%0.80672%0.719SS**THydrogen-bonded Turntrans-72.8-24.1176.4-62176.9000114.1H288H288-L290 PolarHBondContact O-N 2.85Å
291L74.3Confident67.4Low133 Ų133119.7 Ų119.770%0.69671%0.705SS**THydrogen-bonded Turntrans-88.3-19.7-179.3-65.7179.1000113.2H288H288-L291 HydrophobicContact CB-CB 4.46Å; H288-L291 HydrophobicContact CB-CD1 4.08Å; H288-L291 HydrophobicContact CB-CG 4.1Å; H288-L291 PolarHBondContact O-N 3.24Å
292Y67.1Low66.8Low124 Ų124122.1 Ų122.149%0.48671%0.708SS.*SBendtrans-103.7-0.1-177.1-69.6-81.7000113.9Y287 D294Y287-Y292 HydrophobicContact CD1-CD2 4.33Å; Y287-Y292 AromaticContact CD2-CD2 3.93Å; Y287-Y292 HydrophobicContact CD2-CD2 3.93Å; Y287-Y292 AromaticContact CD2-CE2 3.81Å; Y287-Y292 HydrophobicContact CD2-CE2 3.81Å; Y287-Y292 HydrophobicContact CE1-CD2 4.12Å; Y287-Y292 HydrophobicContact CE1-CG 4.43Å; Y287-Y292 HydrophobicContact CE2-CD1 4.25Å; Y287-Y292 AromaticContact CE2-CD2 3.71Å; Y287-Y292 HydrophobicContact CE2-CD2 3.71Å; Y287-Y292 HydrophobicContact CE2-CE1 4.44Å; Y287-Y292 AromaticContact CE2-CE2 3.92Å; Y287-Y292 HydrophobicContact CE2-CE2 3.92Å; Y287-Y292 AromaticContact CE2-CG 3.88Å; Y287-Y292 HydrophobicContact CE2-CG 3.88Å; Y287-Y292 HydrophobicContact CG-CD2 4.25Å; Y287-Y292 HydrophobicContact CG-CE2 4.28Å; Y287-Y292 AromaticContact CZ-CD2 3.81Å; Y287-Y292 AromaticContact CZ-CG 3.82Å; Y292-D294 VanDerWaalsContact C-N 3.29Å; Y292-D294 PolarHBondContact O-N 3.45Å
293S66.8Low65.9Low88 Ų88120.7 Ų120.762%0.61571%0.706SS**THydrogen-bonded Turntrans-71.4-23.1179.8-64.50000113.1P289P289-S293 PolarHBondContact O-OG 3.15Å
294D64Low64.7Low149 Ų149124.4 Ų124.480%0.79771%0.705SS**THydrogen-bonded Turntrans-101.3-1.9-173.8-68.3-19.7000114.7Y292 G296Y292-D294 VanDerWaalsContact C-N 3.29Å; Y292-D294 PolarHBondContact O-N 3.45Å; D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.45Å
295A62.4Low63.4Low88 Ų88125.9 Ų125.973%0.72771%0.705SS**THydrogen-bonded Turntrans-84.25.5-177.200000114.5
296G60.1Low62.1Low78 Ų78122.7 Ų122.780%0.80470%0.7SS**THydrogen-bonded Turntrans-98.81.3-173.700000116.7D294D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.45Å
297S54.2Low60.4Low110 Ų110124.8 Ų124.877%0.76971%0.706SS**  trans-126.361.5-176.9-1690000111.9D299S297-D299 PolarHBondContact O-N 2.93Å
298A53.6Low58.9Low91 Ų91127.2 Ų127.275%0.75271%0.714SS**  trans-78.197.4160.800000108.3
299D56.1Low57.3Low149 Ų149129 Ų12980%0.79773%0.731SS**  trans-171.5141.9142-92.7-29.1000109.3S297S297-D299 PolarHBondContact O-N 2.93Å
300V53.2Low55.5Low128 Ų128128 Ų12878%0.77674%0.737SS**  trans87.571.9169.4-1610000117.2
301S52.8Low54.1Low89 Ų89127 Ų12762%0.62274%0.74SS**  35.8131.3113.259.80000121.4
302Q52.5Low52.6Low180 Ų180124.3 Ų124.384%0.84174%0.744SS**  trans84.5104.9141.1-69.3171.76.400118.1
303N47.7Very low51.7Low137 Ų137124.2 Ų124.273%0.73376%0.76SS**  76.8117.985.5-118.8-9.6000114.5
304R46.9Very low50.9Low204 Ų204126.6 Ų126.677%0.7777%0.771SS**  trans70.7113.7147.4-70.5-176.4-171.5-171.22.8120.7
305I47.1Very low50.4Low150 Ų150131.1 Ų131.177%0.76978%0.777SS**  72.8126.3121.5-59165.8000118.2
306A47.9Very low50Low77 Ų77132.4 Ų132.464%0.63678%0.78SS**  trans84.4117.5150.100000119.8
307N46.2Very low49.5Very low137 Ų137131.6 Ų131.673%0.73377%0.772SS**  72.3125.2128.7-79-17.6000120.2
308R47.3Very low49.5Very low215 Ų215131.8 Ų131.881%0.81177%0.773SS**  trans83.4115.6135.8-71.9176.1-171.5-127.13.6117.5
309V46Very low49.7Very low139 Ų139135.2 Ų135.284%0.84278%0.777SS**  trans68.3113.5134.6-173.40000114.9
310G42.9Very low49.9Very low67 Ų67138.7 Ų138.769%0.69178%0.779SS**  trans-69.7-145177.300000113.8
311P47.9Very low50.7Low135 Ų135137.8 Ų137.888%0.87778%0.779SS**  cis-128.8175.6-8.538-21000112.8
312G42.5Very low51.5Low75 Ų75142.6 Ų142.677%0.77379%0.791SS**  trans113.486.5154.800000116.1
313C47.8Very low52Low122 Ų122139.3 Ų139.382%0.82479%0.788SS**  trans-144.9100.4140.9-157.50000108.9R315C313-R315 PolarHBondContact O-N 3.28Å
314V50.6Low53.2Low138 Ų138138.9 Ų138.984%0.83679%0.793SS**  trans-70.9109.2169.5-130.40000106.6
315R53.2Low53.9Low245 Ų245133.4 Ų133.493%0.92579%0.791SS**  trans-11589.7162.5-131.7-178.6-172-143.32.5109.4C313C313-R315 PolarHBondContact O-N 3.28Å
316S53Low54.5Low115 Ų115131.4 Ų131.480%0.80479%0.791SS**  trans-48.5138.1160.9-70.20000111.4
317G50.2Low54.7Low61 Ų61135.4 Ų135.463%0.62980%0.796SS**  trans151.381.9169.600000110.2I319G317-I319 VanDerWaalsContact C-N 3.33Å; G317-I319 PolarHBondContact O-N 3.11Å
318S53.8Low55Low114 Ų114139.8 Ų139.880%0.79780%0.803SS**  trans-56.496.8167.3178.80000108.8R320S318-R320 VanDerWaalsContact C-N 3.34Å; S318-R320 PolarHBondContact O-N 3.18Å; S318-R320 VanDerWaalsContact O-N 3.09Å
319I57.7Low55.3Low162 Ų162139.4 Ų139.483%0.83180%0.803SS**  trans-76.995.1168.9-56.6175.5000105.3G317 S321G317-I319 VanDerWaalsContact C-N 3.33Å; G317-I319 PolarHBondContact O-N 3.11Å; I319-S321 PolarHBondContact O-N 3.33Å; I319-S321 VanDerWaalsContact O-N 3.15Å
320R60.6Low55.6Low222 Ų222136.9 Ų136.984%0.83880%0.797SS**PPolyproline II helixtrans-58.7116.5164.8-73-179.8170-128.4-0.8106.9S318 Q322S318-R320 VanDerWaalsContact C-N 3.34Å; S318-R320 PolarHBondContact O-N 3.18Å; S318-R320 VanDerWaalsContact O-N 3.09Å; R320-Q322 PolarHBondContact O-N 3.35Å
321S69.9Low55.7Low110 Ų110143.2 Ų143.277%0.76981%0.809SS**PPolyproline II helixtrans-57.4123.3171.943.70000108.8I319 S323I319-S321 PolarHBondContact O-N 3.33Å; I319-S321 VanDerWaalsContact O-N 3.15Å; S321-S323 PolarHBondContact O-N 2.94Å
322Q70.3Confident56Low189 Ų189141.7 Ų141.788%0.88380%0.801SS**PPolyproline II helixtrans-66.5126.5167.9-69.7-174.2-6.900107.6R320R320-Q322 PolarHBondContact O-N 3.35Å
323S62.9Low56.4Low111 Ų111145.4 Ų145.478%0.77681%0.808SS**PPolyproline II helixtrans-53.5134173.6-68.90000109.6S321 A325S321-S323 PolarHBondContact O-N 2.94Å; S323-A325 PolarHBondContact O-N 2.68Å
324P71.7Confident56.4Low129 Ų129147.8 Ų147.884%0.83880%0.8SS**  trans-57.1112.4-178.2-22.131.3000110.5S326P324-S326 PolarHBondContact O-N 2.85Å; P324-S326 VanDerWaalsContact O-N 3.08Å
325A63Low56.6Low88 Ų88146 Ų14673%0.72779%0.793SS**  trans-66.1108.517000000108S323 H327S323-A325 PolarHBondContact O-N 2.68Å; A325-H327 PolarHBondContact O-N 3.31Å
326S58.7Low56.8Low109 Ų109139.7 Ų139.776%0.76279%0.787SS**  trans-72.483.4-178.160.30000111P324P324-S326 PolarHBondContact O-N 2.85Å; P324-S326 VanDerWaalsContact O-N 3.08Å
327H52.8Low57Low160 Ų160142 Ų14274%0.74179%0.79SS**  trans-130.950176.4-75.762.4000111.9A325A325-H327 PolarHBondContact O-N 3.31Å
328Y53Low57.3Low229 Ų229142.7 Ų142.790%0.89878%0.782SS**  trans-143.363.9165.8-73.8-77.6000110.9A330Y328-A330 PolarHBondContact O-N 3.44Å
329Y53.4Low57.2Low207 Ų207142.4 Ų142.481%0.81278%0.779SS**  trans-87.686.1155.4-99-78.3000107.8H331Y329-H331 PolarHBondContact O-N 3.13Å
330A52.7Low57.1Low86 Ų86142.8 Ų142.871%0.71178%0.782SS**  trans-64.7127.5167.900000109.2Y328 S332Y328-A330 PolarHBondContact O-N 3.44Å; A330-S332 PolarHBondContact O-N 3.37Å; A330-S332 VanDerWaalsContact O-N 3.12Å
331H44.8Very low56.8Low201 Ų201139.4 Ų139.493%0.93178%0.78SS**  trans-29.2102.3175.1-62.1-86.4000115.1Y329Y329-H331 PolarHBondContact O-N 3.13Å
332S53.9Low56.1Low102 Ų102140.4 Ų140.471%0.71378%0.781SS**  trans-138.9117.2154.4-170.60000108.2A330 R334A330-S332 PolarHBondContact O-N 3.37Å; A330-S332 VanDerWaalsContact O-N 3.12Å; S332-R334 PolarHBondContact O-N 2.96Å
333V50.8Low55.1Low153 Ų153136.5 Ų136.593%0.92777%0.774SS**  trans-30.883.7-179.1-162.50000113.2
334R48.4Very low54.2Low173 Ų173136.5 Ų136.565%0.65377%0.773SS**  trans-94118.3167.4-73.8-175.992.9-1786108.3S332S332-R334 PolarHBondContact O-N 2.96Å
335S53.3Low53.1Low99 Ų99141.1 Ų141.169%0.69278%0.776SS**  trans-56.8140.4170.453.70000110.8L337S335-L337 PolarHBondContact O-N 3.23Å
336S58.8Low52.5Low113 Ų113141.5 Ų141.579%0.7978%0.779SS**THydrogen-bonded Turntrans-65.318.3-164.346.70000117.6
337L56.1Low52Low165 Ų165142.9 Ų142.986%0.86478%0.783SS**THydrogen-bonded Turntrans-118.47-173.9-72.3173.6000115.6S335S335-L337 PolarHBondContact O-N 3.23Å
338T56.6Low52.1Low75 Ų75142.5 Ų142.546%0.4679%0.791SS.*SBendtrans-124.64.6178.2560000115.3
339S52.7Low51.9Low107 Ų107135.1 Ų135.175%0.74879%0.785SS**THydrogen-bonded Turntrans-88.44.4-176.886.40000115.6
340L55.3Low51.9Low170 Ų170130.9 Ų130.989%0.8979%0.786SS**THydrogen-bonded Turntrans-109.8-3.6-178.3-83.5168000115.1
341L54.9Low51.6Low152 Ų152135 Ų13580%0.79680%0.796SS**SBendtrans-1187.4-173.7-96.6155.5000115
342V53.5Low52.2Low131 Ų131128.8 Ų128.879%0.79479%0.786SS**  trans-126.968.4176.1-172.50000109.4
343S48.9Very low51.9Low106 Ų106127.8 Ų127.874%0.74179%0.792SS**SBendtrans-148125.9162.7-158.10000105.4
344C44.7Very low52.6Low111 Ų111129.9 Ų129.975%0.7579%0.788SS**  trans96.462.9-177.9-43.20000117.5
345Y49.7Very low53Low226 Ų226131.2 Ų131.289%0.88680%0.802SS**  trans-134.470.8145.3-58.8-73.7000109.4
346A50.1Low53.7Low96 Ų96133.9 Ų133.979%0.79381%0.808SS**  trans-137.396.1164.600000106.6
347T48.3Very low54.3Low139 Ų139133.6 Ų133.685%0.85380%0.803SS**  trans-125.891.2172.230.10000108.2
348V53.7Low55Low151 Ų151132.1 Ų132.192%0.91580%0.803SS**  trans-129127.4159.7-164.80000106
349G48.6Very low55.4Low75 Ų75133.1 Ų133.177%0.77382%0.819SS**  trans90.5143.7-179.900000112.8
350S53.4Low56Low118 Ų118137.6 Ų137.683%0.82583%0.825SS**  cis-166.9136.79.7-178.20000105.7G352S350-G352 PolarHBondContact O-N 3.3Å
351D46.6Very low56.5Low173 Ų173134.8 Ų134.893%0.92582%0.817SS**  trans-55.9128.4170.9-95.7-37.7000110.1
352G57.8Low56.8Low69 Ų69139 Ų13971%0.71182%0.823SS**  trans-175.371.6-175.100000109.8S350 K354S350-G352 PolarHBondContact O-N 3.3Å; G352-K354 PolarHBondContact O-N 3.28Å
353G47.3Very low56.9Low81 Ų81142.4 Ų142.484%0.83583%0.827SS**  trans-59.7122.2-179.100000112.8
354K65.9Low57.4Low197 Ų197144 Ų14486%0.85783%0.825SS**  trans-139.4116.4152.6-70.5-166.5179.5-178.30109.1G352 L356G352-K354 PolarHBondContact O-N 3.28Å; K354-L356 PolarHBondContact O-N 3.25Å
355Q57.4Low58Low202 Ų202142.8 Ų142.894%0.94482%0.824SS**  trans-67.9117.9175.5-160.1174.364.600108.4
356L67.6Low58.3Low155 Ų155142.3 Ų142.381%0.81282%0.822SS**  trans-126.2142170.9-118.793.7000109.8K354K354-L356 PolarHBondContact O-N 3.25Å
357P70.6Confident58.3Low107 Ų107146.5 Ų146.570%0.69583%0.825SS**  trans-77.2160.9-17332-34.2000112.9A359P357-A359 PolarHBondContact O-N 3.45Å
358P71Confident58.5Low133 Ų133145.3 Ų145.386%0.86482%0.818SS**  trans-72.8112.7-173.529-34.2000112.1
359A64.6Low58.4Low96 Ų96148 Ų14879%0.79381%0.813SS**PPolyproline II helixtrans-85.2129.1167.800000110.5P357P357-A359 PolarHBondContact O-N 3.45Å
360K65.9Low58.7Low202 Ų202149 Ų14988%0.87881%0.813SS**PPolyproline II helixtrans-64.5131.8178-65.9172179.1174.70110.9R362K360-R362 PolarHBondContact O-N 3.06Å
361P66.3Low58.8Low111 Ų111149 Ų14972%0.72181%0.814SS**PPolyproline II helixtrans-75.2118.9170.729-30.2000109.9
362R60.9Low59.2Low241 Ų241149.1 Ų149.191%0.90981%0.806SS**  trans-81.4113.3160.9-86.6-178.9158.9165-5.6107.8K360 I364K360-R362 PolarHBondContact O-N 3.06Å; R362-I364 PolarHBondContact O-N 3.41Å
363F56.3Low59.1Low201 Ų201151.1 Ų151.188%0.88280%0.8SS**  trans-68.4116.2167.7-85.5-95.3000109
364I59.7Low59.6Low139 Ų139151.1 Ų151.171%0.71379%0.792SS**  trans-88.9112.8162.9-62175.6000105.7R362 Y366R362-I364 PolarHBondContact O-N 3.41Å; I364-Y366 PolarHBondContact O-N 3.12Å
365A57Low59.1Low87 Ų87144.5 Ų144.572%0.71978%0.78SS**  trans-67.8121.7173.200000109.3E367A365-E367 PolarHBondContact O-N 2.87Å
366Y55.5Low59.2Low216 Ų216144 Ų14485%0.84777%0.769SS**  trans-83.192.6164.5-76.2-83.7000108.4I364 T368I364-Y366 PolarHBondContact O-N 3.12Å; Y366-T368 PolarHBondContact O-N 3.05Å
367E50.7Low58.7Low184 Ų184141.6 Ų141.686%0.8676%0.756SS**  trans-88.177.9173.7-162.4166.6-144.100108.2A365A365-E367 PolarHBondContact O-N 2.87Å
368T52.7Low58.6Low114 Ų114140.6 Ų140.670%0.69975%0.748SS**  trans-158.254.1178.8-21.10000114.7Y366Y366-T368 PolarHBondContact O-N 3.05Å
369Y51.7Low58.6Low208 Ų208139.6 Ų139.682%0.81674%0.735SS**  trans-147.921.4168-93.6-75.4000115.7
370A54.1Low59Low94 Ų94140.9 Ų140.978%0.77773%0.728SS**THydrogen-bonded Turntrans-79.3-14.4-177.100000115.3
371S55.1Low59.3Low119 Ų119137.2 Ų137.283%0.83271%0.714SS**THydrogen-bonded Turntrans-96.51.9-170.5-34.50000115.8
372K55.8Low59.5Low176 Ų176137.1 Ų137.177%0.76571%0.707SS**SBendtrans-111.30.6-178.8-108174.1-178.6174.40115.2
373L55.3Low60.2Low111 Ų111130.3 Ų130.358%0.58169%0.688SS**SBendtrans-97.6-19.4178.3-99.8149.6000113.9G375 R376L373-G375 VanDerWaalsContact C-N 3.29Å; L373-G375 PolarHBondContact O-N 3.49Å; L373-R376 PolarHBondContact O-N 3.25Å; L373-R376 VanDerWaalsContact O-N 3.16Å
374A58.1Low61.1Low81 Ų81127.5 Ų127.567%0.66968%0.677SS**THydrogen-bonded Turntrans-64.5-30.1178.200000113.3
375G55.8Low61.7Low58 Ų58126 Ų12660%0.59867%0.67SS**THydrogen-bonded Turntrans-82.3-7176.100000115.4L373 T378L373-G375 VanDerWaalsContact C-N 3.29Å; L373-G375 PolarHBondContact O-N 3.49Å; G375-T378 PolarHBondContact O-OG1 3.35Å
376R58.1Low62.4Low191 Ų191127.3 Ų127.372%0.72167%0.665SS**THydrogen-bonded Turntrans-98.4-19.2179.1-84-175.2159.2-177.6-5.4113.6L373L373-R376 PolarHBondContact O-N 3.25Å; L373-R376 VanDerWaalsContact O-N 3.16Å
377L58.5Low63Low104 Ų104121.7 Ų121.755%0.54566%0.656SS.*Hα-helixtrans-73.4-25.6175.1-104.890.7000113.3H381L377-H381 PolarHBondContact O-N 2.65Å; L377-H381 PolarHBondContact O-ND1 3.31Å
378T68.2Low63.6Low86 Ų86116.3 Ų116.353%0.52864%0.643SS.*Hα-helixtrans-71.3-31.9177.449.70000112.6G375 L382G375-T378 PolarHBondContact O-OG1 3.35Å; T378-L382 PolarHBondContact O-N 3.33Å
379L70.2Confident63.9Low113 Ų113115.9 Ų115.959%0.59265%0.645SS**Hα-helixtrans-71.1-31.4177.6-156.982.2000112.5L383L379-L383 WeakPolarHBondContact O-CG 3.43Å; L379-L383 PolarHBondContact O-N 3.23Å; L379-L383 VanDerWaalsContact O-N 3.17Å
380L73.4Confident64.3Low123 Ų123110.9 Ų110.964%0.64464%0.64SS**Hα-helixtrans-73.5-35.7176.6-80.5169.7000112.4L383 H384L380-L383 PolarHBondContact O-N 3.1Å; L380-H384 PolarHBondContact O-N 3.22Å; L380-H384 VanDerWaalsContact O-N 3.1Å
381H72.6Confident64.2Low125 Ų125115.4 Ų115.458%0.57964%0.643SS**Hα-helixtrans-66.7-42.7172.9-79.9123000112L377 L383 H384 D385L377-H381 PolarHBondContact O-N 2.65Å; L377-H381 PolarHBondContact O-ND1 3.31Å; H381-L383 VanDerWaalsContact C-N 3.31Å; H381-L383 PolarHBondContact O-N 3.1Å; H381-H384 PolarHBondContact O-N 3.33Å; H381-H384 VanDerWaalsContact O-N 3.13Å; H381-D385 PolarHBondContact O-N 3Å; H381-D385 VanDerWaalsContact O-N 3.08Å
382L70.9Confident64.2Low108 Ų108115 Ų11557%0.56564%0.64SS**Hα-helixtrans-61.8-35.6176.1-83.7161.6000113.4T378 L386T378-L382 PolarHBondContact O-N 3.33Å; L382-L386 WeakPolarHBondContact O-CD1 3.5Å; L382-L386 PolarHBondContact O-N 3.29Å
383L74.3Confident64.1Low98 Ų98115.3 Ų115.351%0.51364%0.644SS.*Hα-helixtrans-73.8-30175.8-76.4167.6000112.8L379 L380 H381 C387L379-L383 WeakPolarHBondContact O-CG 3.43Å; L379-L383 PolarHBondContact O-N 3.23Å; L379-L383 VanDerWaalsContact O-N 3.17Å; L380-L383 PolarHBondContact O-N 3.1Å; H381-L383 VanDerWaalsContact C-N 3.31Å; H381-L383 PolarHBondContact O-N 3.1Å; L383-C387 PolarHBondContact O-N 3.37Å
384H76.1Confident63.8Low142 Ų142116.7 Ų116.766%0.65766%0.658SS**Hα-helixtrans-71.8-37.4176.8-147-92.7000111.5L380 H381 C387 A388L380-H384 PolarHBondContact O-N 3.22Å; L380-H384 VanDerWaalsContact O-N 3.1Å; H381-H384 PolarHBondContact O-N 3.33Å; H381-H384 VanDerWaalsContact O-N 3.13Å; H384-C387 PolarHBondContact O-N 3.43Å; H384-A388 PolarHBondContact O-N 3.28Å
385D72.1Confident63.4Low107 Ų107118.6 Ų118.657%0.57267%0.666SS**Hα-helixtrans-71-35.8176.7-69.7-20.6000112.6H381 C387 A388 S389H381-D385 PolarHBondContact O-N 3Å; H381-D385 VanDerWaalsContact O-N 3.08Å; D385-C387 VanDerWaalsContact C-N 3.35Å; D385-C387 PolarHBondContact O-N 3.39Å; D385-A388 PolarHBondContact O-N 3.44Å; D385-S389 PolarHBondContact O-N 3.49Å; D385-S389 VanDerWaalsContact O-N 3.15Å
386L72.1Confident63.2Low116 Ų116125.4 Ų125.461%0.60768%0.682SS**Hα-helixtrans-66.5-34.2173.4-81.1161.7000112.7L382 S390L382-L386 WeakPolarHBondContact O-CD1 3.5Å; L382-L386 PolarHBondContact O-N 3.29Å; L386-S390 PolarHBondContact O-OG 3.3Å
387C66.3Low63Low98 Ų98120 Ų12066%0.66269%0.685SS**Hα-helixtrans-73.9-32.9174.2-90.40000112.9L383 H384 D385L383-C387 PolarHBondContact O-N 3.37Å; H384-C387 PolarHBondContact O-N 3.43Å; D385-C387 VanDerWaalsContact C-N 3.35Å; D385-C387 PolarHBondContact O-N 3.39Å
388A64Low63.1Low70 Ų70124.6 Ų124.658%0.57970%0.701SS**Hα-helixtrans-71.9-32.3177.700000112.8H384 D385 S390H384-A388 PolarHBondContact O-N 3.28Å; D385-A388 PolarHBondContact O-N 3.44Å; A388-S390 VanDerWaalsContact C-N 3.26Å; A388-S390 PolarHBondContact O-N 3.29Å
389S60.3Low62.5Low106 Ų106129.4 Ų129.474%0.74172%0.718SS**THydrogen-bonded Turntrans-74.6-10179.3-170.20000114.5D385D385-S389 PolarHBondContact O-N 3.49Å; D385-S389 VanDerWaalsContact O-N 3.15Å
390S59Low62.3Low103 Ų103129.7 Ų129.772%0.7272%0.724SS**THydrogen-bonded Turntrans-97.61.7-175.2-52.90000113.9L386 A388L386-S390 PolarHBondContact O-OG 3.3Å; A388-S390 VanDerWaalsContact C-N 3.26Å; A388-S390 PolarHBondContact O-N 3.29Å
391F52.3Low61.6Low188 Ų188130 Ų13083%0.82573%0.731SS**SBendtrans-109.531.8-172.2-163.2-103.2000114.2
392S55.1Low61.1Low112 Ų112134.6 Ų134.678%0.78374%0.743SS**  trans-135.170.1176-67.30000111
393Q52.7Low60.8Low182 Ų182138.5 Ų138.585%0.8576%0.759SS**  trans-154.7139.6162.9-120.7170.712.600110.2
394T49.9Very low60.3Low140 Ų140140.2 Ų140.286%0.85977%0.773SS**  trans82.779172.579.90000117.7
395S49.9Very low59.8Low120 Ų120138.9 Ų138.984%0.83978%0.78SS**  trans-139.365.7150.370.10000110.5
396E52.1Low59.1Low201 Ų201143 Ų14394%0.93980%0.795SS**  trans-139.8135.7162.5-75.3-158.6155.100108.6
397G52.9Low58.6Low77 Ų77141.5 Ų141.579%0.79481%0.808SS**  trans119.961.7172.200000115.3
398K59.8Low58.6Low202 Ų202140.4 Ų140.488%0.87881%0.814SS**  trans-139.287.7152.5-119.7177.7-176177.20109.6V400K398-V400 PolarHBondContact O-N 3.34Å
399E57.2Low58.5Low187 Ų187147.7 Ų147.787%0.87485%0.851SS**  trans-66.1116.7168.4-167.4171.7-176.700108.4
400V64.4Low58.4Low118 Ų118149.8 Ų149.872%0.71586%0.856SS**  trans-100.2102.1174.5172.50000107K398 R402K398-V400 PolarHBondContact O-N 3.34Å; V400-R402 PolarHBondContact O-N 3.09Å
401T59.5Low58.3Low129 Ų129152.2 Ų152.279%0.79186%0.863SS**  trans-66107.3169.2-16.10000108.6
402R62.7Low58.7Low223 Ų223150.2 Ų150.284%0.84287%0.865SS**  trans-92.2105.9167.9-91.1-175.7171.2171-2.2108.9V400 T404V400-R402 PolarHBondContact O-N 3.09Å; R402-T404 PolarHBondContact O-N 3.16Å
403E63.2Low58.9Low190 Ų190152.5 Ų152.589%0.88887%0.87SS**  trans-66.2124.4161.1-65.7-160.4150.800109.5
404T65.7Low59.3Low134 Ų134150.6 Ų150.682%0.82287%0.871SS**  trans-102.1103.6170.5-56.20000107.1R402R402-T404 PolarHBondContact O-N 3.16Å
405S64.8Low59.9Low114 Ų114151.3 Ų151.380%0.79787%0.872SS**  trans-73.8125171.5-176.10000109.7
406Q58Low60.6Low192 Ų192153.6 Ų153.690%0.89787%0.874SS**  trans-67149.6166-75.4177.2-35.900110.8
407G61.3Low61.3Low85 Ų85149.9 Ų149.988%0.87687%0.87SS**  trans145.593.7155.900000113.7
408G66.3Low62Low76 Ų76156 Ų15678%0.78488%0.876SS**  trans-154.798.2168.400000110.4
409V60.9Low62.2Low222 Ų222151.8 Ų151.8100%1.34588%0.876SS**  trans-120.90139174.90000105.6

Retrieved 409 of 409 residues in 549.7 ms (Link to these results)