A0A096MK85_RAT Loading...

Sushi domain containing 6

AlphaFold DB (M0R5N9), UniProt , Accession A0A096MK85, Species RAT (Rattus norvegicus, Rat), Gene Susd6, Length 303 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
1M52Low53.4Low226 Ų226149.5 Ų149.5100%1.11384%0.841SS**  0153.90-7060.816500108.1
2C62.8Low52.6Low122 Ų122145.5 Ų145.582%0.82483%0.831SS**  trans46.396.1165.1-540000115.9
3H51.8Low52.2Low199 Ų199147.3 Ų147.392%0.92183%0.827SS**  cis51.5115.646.4-80.8-103.5000114.3
4G65.2Low51.9Low84 Ų84150.7 Ų150.787%0.86683%0.829SS**  trans-174.461.6-178.700000112.7
5R52.3Low51.5Low253 Ų253147.9 Ų147.996%0.95582%0.818SS**  trans-103.8123.9174.7-110.9-174.4173.8141.6-2.6109.7
6I65Low51.1Low171 Ų171147.3 Ų147.388%0.87782%0.819SS**  trans-138133.2159.5-57.3-178.3000108.2
7A54.9Low50.9Low87 Ų87144.8 Ų144.872%0.71981%0.809SS**  trans-125.9154.2166.100000107.9
8P52.6Low51Low118 Ų118142.8 Ų142.877%0.76681%0.806SS**  -129145.397.69.412.2000111.2
9K40.4Very low51.1Low179 Ų179140.7 Ų140.778%0.77880%0.797SS**  59.186.163.3-165.7-178.9-179.7179.70113.2
10S48Very low51.3Low120 Ų120135.7 Ų135.784%0.83978%0.778SS**  trans-118.595.3149.8-172.10000108.6S12S10-S12 PolarHBondContact O-N 2.78Å
11S42.1Very low51.6Low85 Ų85136.6 Ų136.659%0.59478%0.775SS**  trans-90.784.7172.250.90000108.6E13S11-E13 PolarHBondContact O-N 3.3Å
12S43.8Very low52.4Low102 Ų102128.2 Ų128.271%0.71375%0.746SS**  trans-86.290.6166-172.80000108.3S10 F14S10-S12 PolarHBondContact O-N 2.78Å; S12-F14 PolarHBondContact O-N 3.35Å
13E47.7Very low52.9Low169 Ų169127.1 Ų127.179%0.7974%0.736SS**  trans-59124.3169.4-63.5-173.7125.700108.5S11 V15S11-E13 PolarHBondContact O-N 3.3Å; E13-V15 VanDerWaalsContact C-N 3.26Å; E13-V15 PolarHBondContact O-N 3.43Å
14F47.3Very low53.9Low195 Ų195124.1 Ų124.186%0.85572%0.72SS**  trans-74.487.2175.8-129.4-89.4000107.6S12 V16S12-F14 PolarHBondContact O-N 3.35Å; F14-V16 WeakPolarHBondContact O-CG2 3.36Å; F14-V16 PolarHBondContact O-N 2.82Å
15V46.7Very low54.6Low108 Ų108125.1 Ų125.166%0.65571%0.705SS**  trans-60.7111.9177.9-174.10000107.7E13 T17E13-V15 VanDerWaalsContact C-N 3.26Å; E13-V15 PolarHBondContact O-N 3.43Å; V15-T17 HydrophobicContact CG1-CG2 3.85Å; V15-T17 PolarHBondContact O-N 2.97Å
16V45.7Very low55.9Low139 Ų139119.3 Ų119.384%0.84269%0.689SS**  trans-76.463.9178.4-1710000109.1F14 S18F14-V16 WeakPolarHBondContact O-CG2 3.36Å; F14-V16 PolarHBondContact O-N 2.82Å; V16-S18 PolarHBondContact O-N 2.96Å
17T46.6Very low56.7Low104 Ų104115.8 Ų115.864%0.63867%0.671SS**  trans-66.1123.4171.940.20000109.4V15 V19V15-T17 HydrophobicContact CG1-CG2 3.85Å; V15-T17 PolarHBondContact O-N 2.97Å; T17-V19 VanDerWaalsContact C-N 3.34Å; T17-V19 PolarHBondContact O-N 3.13Å
18S53.2Low57.9Low109 Ų109114.6 Ų114.676%0.76266%0.655SS**SBendtrans-7082.8-174.2-1680000113.3V16 G20V16-S18 PolarHBondContact O-N 2.96Å; S18-G20 VanDerWaalsContact C-N 3.28Å
19V52.5Low59.3Low104 Ų104112.5 Ų112.563%0.6364%0.636SS**  trans-104.632.3153.9-163.20000108.2T17 H21 V23T17-V19 VanDerWaalsContact C-N 3.34Å; T17-V19 PolarHBondContact O-N 3.13Å; V19-H21 PolarHBondContact O-N 3Å; V19-V23 HydrophobicContact CG1-CG2 4.26Å
20G55.4Low61.2Low40 Ų40108.2 Ų108.241%0.41262%0.622SS.*THydrogen-bonded Turntrans-81.71.1-145.400000118S18S18-G20 VanDerWaalsContact C-N 3.28Å
21H58.6Low62.8Low154 Ų154106.2 Ų106.271%0.71361%0.607SS**THydrogen-bonded Turntrans-124.1-47-177.8-62.7117.4000113.4V19 L25V19-H21 PolarHBondContact O-N 3Å; H21-L25 WeakPolarHBondContact O-CB 3.3Å; H21-L25 PolarHBondContact O-N 3.37Å
22G67.2Low64.5Low50 Ų50105.3 Ų105.352%0.51560%0.6SS.*Hα-helixtrans-62.9-53.5-17500000113.7Q26G22-Q26 VanDerWaalsContact O-CG 3.31Å; G22-Q26 WeakPolarHBondContact O-CG 3.09Å; G22-Q26 PolarHBondContact O-N 2.64Å
23V73.8Confident65.9Low100 Ų100106.1 Ų106.161%0.60660%0.596SS**Hα-helixtrans-71.5-35.7-179.6-176.90000111.3V19 Q26 L27V19-V23 HydrophobicContact CG1-CG2 4.26Å; V23-Q26 PolarHBondContact O-N 3.39Å; V23-L27 WeakPolarHBondContact O-CB 3.31Å; V23-L27 PolarHBondContact O-N 2.87Å
24F73.4Confident66.8Low135 Ų135103.5 Ų103.559%0.59259%0.587SS**Hα-helixtrans-65.6-44.6176-172.7-98.1000111.7L27 V28F24-L27 PolarHBondContact O-N 2.89Å; F24-V28 HydrophobicContact CD1-CG2 4.02Å; F24-V28 HydrophobicContact CE1-CG2 3.66Å; F24-V28 HydrophobicContact CZ-CG2 3.94Å; F24-V28 WeakPolarHBondContact O-CB 3.34Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 3.22Å
25L79.5Confident67.4Low106 Ų10696.2 Ų96.256%0.55557%0.567SS**Hα-helixtrans-63-43.2175.5-173.173.5000111.5H21 L27 V28 I29H21-L25 WeakPolarHBondContact O-CB 3.3Å; H21-L25 PolarHBondContact O-N 3.37Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.29Å; L25-V28 PolarHBondContact O-N 3.3Å; L25-I29 HydrophobicContact CD1-CD1 4.5Å; L25-I29 HydrophobicContact CD2-CD1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.9Å; L25-I29 HydrophobicContact CG-CG1 4.49Å; L25-I29 WeakPolarHBondContact O-CB 3.49Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.41Å; L25-I29 PolarHBondContact O-N 3.42Å
26Q80.1Confident68Low130 Ų13096.9 Ų96.961%0.60757%0.567SS**Hα-helixtrans-62.7-39.5175.1-72.4-70.4-1.600112.2G22 V23 L30G22-Q26 VanDerWaalsContact O-CG 3.31Å; G22-Q26 WeakPolarHBondContact O-CG 3.09Å; G22-Q26 PolarHBondContact O-N 2.64Å; V23-Q26 PolarHBondContact O-N 3.39Å; Q26-L30 VanDerWaalsContact O-CB 3.25Å; Q26-L30 WeakPolarHBondContact O-CB 3.11Å; Q26-L30 PolarHBondContact O-N 3.11Å
27L81.7Confident68.5Low97 Ų9792.8 Ų92.851%0.50855%0.552SS.*Hα-helixtrans-67.6-39.3174.7-176.462.1000112V23 F24 L25 L30 C31V23-L27 WeakPolarHBondContact O-CB 3.31Å; V23-L27 PolarHBondContact O-N 2.87Å; F24-L27 PolarHBondContact O-N 2.89Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.29Å; L27-L30 PolarHBondContact O-N 2.99Å; L27-C31 WeakPolarHBondContact O-CB 3.47Å; L27-C31 PolarHBondContact O-N 3.31Å; L27-C31 PolarHBondContact O-SG 3.11Å
28V80.6Confident69.1Low62 Ų6294.6 Ų94.638%0.37656%0.557SS.*Hα-helixtrans-65.2-461751680000111F24 L25 L30 C31 S32F24-V28 HydrophobicContact CD1-CG2 4.02Å; F24-V28 HydrophobicContact CE1-CG2 3.66Å; F24-V28 HydrophobicContact CZ-CG2 3.94Å; F24-V28 WeakPolarHBondContact O-CB 3.34Å; F24-V28 WeakPolarHBondContact O-CG2 3.29Å; F24-V28 PolarHBondContact O-N 3.22Å; L25-V28 PolarHBondContact O-N 3.3Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 2.9Å; V28-C31 PolarHBondContact O-N 3.05Å; V28-S32 PolarHBondContact O-N 3.12Å; V28-S32 PolarHBondContact O-OG 2.82Å
29I81.4Confident69.6Low74 Ų7491.8 Ų91.838%0.37954%0.541SS..Hα-helixtrans-58.9-45.5174.6-70.6166.1000110.3L25 S32 L33L25-I29 HydrophobicContact CD1-CD1 4.5Å; L25-I29 HydrophobicContact CD2-CD1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.9Å; L25-I29 HydrophobicContact CG-CG1 4.49Å; L25-I29 WeakPolarHBondContact O-CB 3.49Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.41Å; L25-I29 PolarHBondContact O-N 3.42Å; I29-S32 PolarHBondContact O-N 2.79Å; I29-L33 HydrophobicContact CG2-CD1 3.79Å; I29-L33 HydrophobicContact CG2-CG 4.41Å; I29-L33 WeakPolarHBondContact O-CB 3.31Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.39Å; I29-L33 PolarHBondContact O-N 2.89Å
30L81Confident71Confident90 Ų9089.7 Ų89.747%0.47153%0.531SS..Hα-helixtrans-61.6-43.9176.1-17466.8000111.5Q26 L27 V28 L33 L34Q26-L30 VanDerWaalsContact O-CB 3.25Å; Q26-L30 WeakPolarHBondContact O-CB 3.11Å; Q26-L30 PolarHBondContact O-N 3.11Å; L27-L30 PolarHBondContact O-N 2.99Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 2.96Å; L30-L34 HydrophobicContact CD1-CD1 3.74Å; L30-L34 HydrophobicContact CG-CD1 4.18Å; L30-L34 WeakPolarHBondContact O-CB 3.29Å; L30-L34 WeakPolarHBondContact O-CD1 3.37Å; L30-L34 PolarHBondContact O-N 2.9Å
31C80Confident72.6Confident78 Ų7890.6 Ų90.653%0.52753%0.528SS..Hα-helixtrans-65.3-36.2176.9-74.50000113L27 V28 G35L27-C31 WeakPolarHBondContact O-CB 3.47Å; L27-C31 PolarHBondContact O-N 3.31Å; L27-C31 PolarHBondContact O-SG 3.11Å; V28-C31 PolarHBondContact O-N 3.05Å; C31-G35 PolarHBondContact O-N 3.29Å
32S77.8Confident74.2Confident66 Ų6683.6 Ų83.646%0.46250%0.497SS..Hα-helixtrans-64.2-51.8171.5-65.60000111.1V28 I29 L34 G35 D36V28-S32 PolarHBondContact O-N 3.12Å; V28-S32 PolarHBondContact O-OG 2.82Å; I29-S32 PolarHBondContact O-N 2.79Å; S32-L34 VanDerWaalsContact C-N 3.26Å; S32-L34 PolarHBondContact O-N 3.06Å; S32-G35 PolarHBondContact O-N 3.04Å; S32-D36 PolarHBondContact O-N 2.76Å; S32-D36 VanDerWaalsContact O-N 3.07Å
33L73Confident75.3Confident119 Ų11985.1 Ų85.162%0.62350%0.497SS*.Hα-helixtrans-63.2-28.8-179.5-68.1171.7000113.5I29 L30I29-L33 HydrophobicContact CG2-CD1 3.79Å; I29-L33 HydrophobicContact CG2-CG 4.41Å; I29-L33 WeakPolarHBondContact O-CB 3.31Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.39Å; I29-L33 PolarHBondContact O-N 2.89Å; L30-L33 PolarHBondContact O-N 2.96Å
34L67.6Low76.2Confident113 Ų11386.5 Ų86.559%0.59250%0.501SS*.Hα-helixtrans-80.9-33.1171.2-93.361.4000112.7L30 S32 G37L30-L34 HydrophobicContact CD1-CD1 3.74Å; L30-L34 HydrophobicContact CG-CD1 4.18Å; L30-L34 WeakPolarHBondContact O-CB 3.29Å; L30-L34 WeakPolarHBondContact O-CD1 3.37Å; L30-L34 PolarHBondContact O-N 2.9Å; S32-L34 VanDerWaalsContact C-N 3.26Å; S32-L34 PolarHBondContact O-N 3.06Å; L34-G37 PolarHBondContact O-N 3.19Å
35G60Low77Confident42 Ų4280.3 Ų80.343%0.43347%0.474SS..Hα-helixtrans-65.6-44.6-18000000112.9C31 S32 G37 L38C31-G35 PolarHBondContact O-N 3.29Å; S32-G35 PolarHBondContact O-N 3.04Å; G35-G37 PolarHBondContact O-N 3.01Å; G35-L38 PolarHBondContact O-N 3.08Å
36D60Low77.5Confident123 Ų12379.3 Ų79.366%0.65847%0.474SS*.G310 helixtrans-62.6-24.1-179.7-65.4-32.9000112.9S32 L38S32-D36 PolarHBondContact O-N 2.76Å; S32-D36 VanDerWaalsContact O-N 3.07Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.83Å
37G55.2Low77.9Confident52 Ų5279.2 Ų79.254%0.53647%0.473SS..G310 helixtrans-70-23.1-178.200000115.3L34 G35L34-G37 PolarHBondContact O-N 3.19Å; G35-G37 PolarHBondContact O-N 3.01Å
38L60.3Low78.3Confident142 Ų14275.1 Ų75.174%0.74345%0.453SS*.G310 helixtrans-85.6-15.4-178.4-69.1173.7000113.5G35 D36 S40 V41G35-L38 PolarHBondContact O-N 3.08Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.83Å; L38-S40 PolarHBondContact O-N 3.41Å; L38-V41 PolarHBondContact O-N 3.26Å
39A61.7Low78.9Confident51 Ų5180.1 Ų80.142%0.42147%0.472SS..THydrogen-bonded Turntrans-71.724.7-17900000114.5N91 G92A39-N91 CarbonylContact O-C 3.44Å; A39-N91 WeakPolarHBondContact O-CA 3.06Å; A39-G92 PolarHBondContact O-N 2.87Å
40S82.3Confident79.4Confident60 Ų6079.9 Ų79.942%0.4247%0.471SS..THydrogen-bonded Turntrans-108.6-10.317859.90000113.8L38 T65 S66L38-S40 PolarHBondContact O-N 3.41Å; S40-T65 CarbonylContact O-C 3.01Å; S40-T65 VanDerWaalsContact O-CA 3.24Å; S40-T65 WeakPolarHBondContact O-CA 3.49Å; S40-S66 PolarHBondContact O-N 2.88Å
41V90.6Very high80Confident59 Ų5976.9 Ų76.936%0.35846%0.462SS..BIsolated β-bridgetrans-118129.6-179.5169.40000109.8L38 P63 T65 G92L38-V41 PolarHBondContact O-N 3.26Å; V41-P63 HydrophobicContact CG1-CB 3.75Å; V41-P63 HydrophobicContact CG2-CB 4.07Å; V41-P63 HydrophobicContact CG2-CG 3.96Å; V41-T65 HydrophobicContact CG2-CG2 4.29Å; V41-G92 WeakPolarHBondContact O-CA 3.39Å
42C91.1Very high80.7Confident7 Ų773.9 Ų73.95%0.04745%0.445CS..PPolyproline II helixtrans-84.2151.5172-71.50000111.9L64 C89 W94C42-L64 PolarHBondContact N-O 2.89Å; C42-C89 HydrophobicContact CB-CB 3.88Å; C42-C89 WeakPolarHBondContact CB-SG 3.49Å; C42-C89 WeakPolarHBondContact SG-CA 3.37Å; C42-C89 WeakPolarHBondContact SG-CB 2.96Å; C42-C89 CovalentContact SG-SG 2.02Å; C42-C89 PolarHBondContact SG-SG 2.9Å; C42-W94 HydrophobicContact CB-CD2 4.31Å; C42-W94 HydrophobicContact CB-CZ2 3.74Å
43P91.4Very high81.4Confident82 Ų8273.1 Ų73.153%0.53243%0.432SS..PPolyproline II helixtrans-63.6163.6168.830.1-36.1000110.8G92 W94P43-G92 WeakPolarHBondContact CD-O 3.41Å; P43-W94 PolarHBondContact O-NE1 3.41Å
44L90.8Very high82.5Confident128 Ų12869.1 Ų69.167%0.6741%0.411SS*.PPolyproline II helixtrans-55.6134.8172.2-165.670.5000110Y53L44-Y53 WeakPolarHBondContact CD1-OH 3.31Å
45P91.3Very high83.8Confident6 Ų664 Ų644%0.03939%0.385CS..PPolyproline II helixtrans-60.4145.5178.2-23.233.4000112.6E47 Y53 L64 I70 Y72 W94P45-E47 PolarHBondContact O-N 3.25Å; P45-Y53 HydrophobicContact CB-CD1 4.13Å; P45-Y53 HydrophobicContact CB-CE1 3.95Å; P45-Y53 HydrophobicContact CB-CE2 4.37Å; P45-Y53 HydrophobicContact CB-CG 4.43Å; P45-Y53 HydrophobicContact CG-CD2 4.18Å; P45-Y53 HydrophobicContact CG-CE1 4.19Å; P45-Y53 HydrophobicContact CG-CE2 3.78Å; P45-L64 HydrophobicContact CG-CD1 4.15Å; P45-I70 HydrophobicContact CB-CD1 3.53Å; P45-I70 HydrophobicContact CG-CD1 3.53Å; P45-I70 HydrophobicContact CG-CG2 4.34Å; P45-Y72 WeakPolarHBondContact CB-OH 3.33Å; P45-W94 HydrophobicContact CG-CH2 4.3Å; P45-W94 HydrophobicContact CG-CZ2 3.69Å
46P89Confident85.3Confident85 Ų8565.6 Ų65.655%0.55238%0.381SS*.  trans-68.7114.317129-33.8000110.1Y72P46-Y72 WeakPolarHBondContact CD-OH 3.41Å; P46-Y72 WeakPolarHBondContact O-CE1 3.31Å; P46-Y72 PolarHBondContact O-OH 2.79Å
47E89.8Confident86.9Confident127 Ų12764.6 Ų64.659%0.59338%0.381SS*.PPolyproline II helixtrans-82.3122.9178.2-170.8153.6-129.700110.6P45 G52 Y53P45-E47 PolarHBondContact O-N 3.25Å; E47-G52 WeakPolarHBondContact OE1-CA 3.24Å; E47-Y53 HydrophobicContact CB-CE1 4.46Å
48P90.5Very high88.7Confident12 Ų1270.6 Ų70.68%0.07839%0.387CS..PPolyproline II helixtrans-74.7145.4-178.829.8-34.8000111.8G51 Y72 V100P48-G51 PolarHBondContact O-N 3.4Å; P48-G51 VanDerWaalsContact O-N 3.09Å; P48-Y72 HydrophobicContact CG-CD1 4.21Å; P48-V100 HydrophobicContact CB-CG1 4.17Å; P48-V100 HydrophobicContact CG-CG1 3.97Å
49E91.4Very high90.2Very high166 Ų16669 Ų6978%0.77639%0.385SS*.THydrogen-bonded Turntrans-58.2140.9166.4-168.8173.6-173.200109.8G51 C102E49-G51 PolarHBondContact O-N 3.02Å; E49-C102 WeakPolarHBondContact O-CB 3.45Å
50N92.9Very high91.6Very high69 Ų6969.1 Ų69.137%0.36938%0.382SS..THydrogen-bonded Turntrans55.330-171.3-53.7117.1000114.7A75 Y78 C102N50-A75 WeakPolarHBondContact O-CB 3.38Å; N50-A75 PolarHBondContact O-N 2.85Å; N50-Y78 HydrophobicContact CB-CD1 3.57Å; N50-Y78 HydrophobicContact CB-CD2 4.11Å; N50-Y78 HydrophobicContact CB-CE1 3.44Å; N50-Y78 VanDerWaalsContact CB-CE1 3.44Å; N50-Y78 HydrophobicContact CB-CE2 4.02Å; N50-Y78 HydrophobicContact CB-CG 3.92Å; N50-Y78 PolarHBondContact ND2-OH 3.32Å; N50-Y78 WeakPolarHBondContact OD1-CE1 3.36Å; N50-Y78 PolarHBondContact OD1-OH 2.88Å; N50-C102 HydrophobicContact CB-CB 4.47Å
51G93.4Very high91.9Very high27 Ų2773.5 Ų73.528%0.27839%0.394SS..EExtended strand (participates in β ladder)trans-153.4-161.3172.100000113.8P48 E49 L73P48-G51 PolarHBondContact O-N 3.4Å; P48-G51 VanDerWaalsContact O-N 3.09Å; E49-G51 PolarHBondContact O-N 3.02Å; G51-L73 CarbonylContact C-O 3.21Å; G51-L73 WeakPolarHBondContact CA-O 3.19Å
52G93.8Very high91.8Very high15 Ų1577.4 Ų77.416%0.15541%0.413CS..EExtended strand (participates in β ladder)trans-173.6-175.8-179.100000111.4E47 Y72 L73E47-G52 WeakPolarHBondContact OE1-CA 3.24Å; G52-Y72 WeakPolarHBondContact O-CA 3.15Å; G52-L73 PolarHBondContact N-O 2.86Å; G52-L73 PolarHBondContact O-N 2.87Å
53Y94Very high91.7Very high51 Ų5180.9 Ų80.920%0.244%0.436CS..EExtended strand (participates in β ladder)trans-137.2159.9174.265.5-86.2000113.5L44 P45 E47 I70 E71 Y72L44-Y53 WeakPolarHBondContact CD1-OH 3.31Å; P45-Y53 HydrophobicContact CB-CD1 4.13Å; P45-Y53 HydrophobicContact CB-CE1 3.95Å; P45-Y53 HydrophobicContact CB-CE2 4.37Å; P45-Y53 HydrophobicContact CB-CG 4.43Å; P45-Y53 HydrophobicContact CG-CD2 4.18Å; P45-Y53 HydrophobicContact CG-CE1 4.19Å; P45-Y53 HydrophobicContact CG-CE2 3.78Å; E47-Y53 HydrophobicContact CB-CE1 4.46Å; Y53-I70 HydrophobicContact CD2-CB 4.3Å; Y53-I70 HydrophobicContact CD2-CG2 4.04Å; Y53-E71 CarbonylContact C-O 3.58Å; Y53-E71 WeakPolarHBondContact CA-O 3.3Å; Y53-E71 WeakPolarHBondContact CB-O 3.22Å; Y53-Y72 HydrophobicContact CD1-CE1 4.21Å; Y53-Y72 HydrophobicContact CG-CE1 4.37Å
54I94.6Very high91.6Very high34 Ų3477.4 Ų77.417%0.17441%0.412CS..EExtended strand (participates in β ladder)trans-124.8151.2171.660.6178.2000110.1I70 E71 L73I54-I70 CarbonylContact O-C 3.12Å; I54-I70 WeakPolarHBondContact O-CA 3.3Å; I54-E71 HydrophobicContact CD1-CB 4.27Å; I54-E71 HydrophobicContact CG1-CB 3.84Å; I54-E71 PolarHBondContact N-O 3.09Å; I54-E71 PolarHBondContact O-N 2.83Å; I54-L73 HydrophobicContact CB-CD1 4.41Å; I54-L73 HydrophobicContact CD1-CD1 3.88Å; I54-L73 HydrophobicContact CG1-CD1 3.75Å; I54-L73 HydrophobicContact CG2-CD1 4.01Å
55C95Very high91.7Very high7 Ų774.7 Ų74.75%0.04740%0.401CS..EExtended strand (participates in β ladder)trans-92.9150.5171.8-57.20000112.2P57 R58 C60 V69C55-P57 CarbonylContact C-O 3.48Å; C55-P57 CarbonylContact O-C 3.48Å; C55-R58 WeakPolarHBondContact O-CG 3.45Å; C55-R58 PolarHBondContact O-N 2.77Å; C55-C60 HydrophobicContact CB-CB 3.85Å; C55-C60 WeakPolarHBondContact CB-SG 3.31Å; C55-C60 WeakPolarHBondContact SG-CA 2.98Å; C55-C60 WeakPolarHBondContact SG-CB 3.09Å; C55-C60 CovalentContact SG-SG 2.04Å; C55-C60 PolarHBondContact SG-SG 2.8Å; C55-V69 WeakPolarHBondContact CA-O 3.44Å
56H93.4Very high91.7Very high75 Ų7576.6 Ų76.635%0.34741%0.414SS..EExtended strand (participates in β ladder)trans-118.7117175.4-74.6-69.9000110.6V69 E71H56-V69 HydrophobicContact CB-CB 4.26Å; H56-V69 HydrophobicContact CB-CG1 4.42Å; H56-V69 PolarHBondContact N-O 3.11Å; H56-E71 IonicContact CD2-OE2 2.63Å; H56-E71 IonicContact CE1-OE2 3.41Å; H56-E71 PolarHBondContact CE1-OE2 3.46Å; H56-E71 WeakPolarHBondContact NE2-CB 3.36Å; H56-E71 IonicContact NE2-OE2 2.72Å; H56-E71 PolarHBondContact NE2-OE2 2.68Å
57P93.4Very high91.7Very high102 Ų10275.3 Ų75.366%0.66242%0.417SS*.SBendcis-68.3161.7-8.732-36.7000112.4C55C55-P57 CarbonylContact C-O 3.48Å; C55-P57 CarbonylContact O-C 3.48Å
58R91.9Very high91.9Very high177 Ų17770.4 Ų70.467%0.66840%0.397SS*.SBendtrans-79.3150.9168.8-59.5-179.2-171.7172.73.7110.2C55C55-R58 WeakPolarHBondContact O-CG 3.45Å; C55-R58 PolarHBondContact O-N 2.77Å
59P92.4Very high92.1Very high109 Ų10971.8 Ų71.871%0.70841%0.405SS*.SBendcis-74.4169.2-9.634.2-36.9000112
60C90.7Very high92.3Very high53 Ų5363.9 Ų63.936%0.35837%0.368SS..PPolyproline II helixtrans-55.4147.5166.8-65.70000111.2C55C55-C60 HydrophobicContact CB-CB 3.85Å; C55-C60 WeakPolarHBondContact CB-SG 3.31Å; C55-C60 WeakPolarHBondContact SG-CA 2.98Å; C55-C60 WeakPolarHBondContact SG-CB 3.09Å; C55-C60 CovalentContact SG-SG 2.04Å; C55-C60 PolarHBondContact SG-SG 2.8Å
61K88.6Confident92.4Very high153 Ų15361.7 Ų61.767%0.66536%0.356SS*.  trans-113124.9175.1-65.5179.8-177.4175.90108.5P63 L64K61-P63 CarbonylContact O-C 3.49Å; K61-L64 WeakPolarHBondContact O-CD2 3.18Å; K61-L64 PolarHBondContact O-N 3.48Å
62D87.7Confident92.5Very high140 Ų14060.7 Ų60.775%0.74934%0.343SS*.SBendtrans-97.7126.8175.7-59.1-54.7000109.9
63P89.5Confident92.5Very high81 Ų8163.6 Ų63.653%0.52636%0.355SS..SBendcis-78.9154.9-534.1-35.9000113.4V41 K61 T65V41-P63 HydrophobicContact CG1-CB 3.75Å; V41-P63 HydrophobicContact CG2-CB 4.07Å; V41-P63 HydrophobicContact CG2-CG 3.96Å; K61-P63 CarbonylContact O-C 3.49Å; P63-T65 PolarHBondContact O-N 3.3Å; P63-T65 VanDerWaalsContact O-N 3.08Å
64L90.5Very high92.5Very high9 Ų962.8 Ų62.85%0.04736%0.357CS..  trans-72.998176.4-67.9167.9000110.9C42 P45 K61 W94C42-L64 PolarHBondContact N-O 2.89Å; P45-L64 HydrophobicContact CG-CD1 4.15Å; K61-L64 WeakPolarHBondContact O-CD2 3.18Å; K61-L64 PolarHBondContact O-N 3.48Å; L64-W94 HydrophobicContact CB-CH2 4.3Å; L64-W94 HydrophobicContact CB-CZ2 4.18Å; L64-W94 HydrophobicContact CD1-CH2 4.08Å; L64-W94 HydrophobicContact CD1-CZ2 3.81Å
65T91.1Very high92.5Very high70 Ų7063.3 Ų63.343%0.42937%0.366SS..BIsolated β-bridgetrans-82.2162.2-179.358.80000113.3S40 V41 P63 G67 S68S40-T65 CarbonylContact O-C 3.01Å; S40-T65 VanDerWaalsContact O-CA 3.24Å; S40-T65 WeakPolarHBondContact O-CA 3.49Å; V41-T65 HydrophobicContact CG2-CG2 4.29Å; P63-T65 PolarHBondContact O-N 3.3Å; P63-T65 VanDerWaalsContact O-N 3.08Å; T65-G67 PolarHBondContact O-N 3.22Å; T65-S68 PolarHBondContact N-OG 2.73Å; T65-S68 WeakPolarHBondContact O-CB 3.38Å; T65-S68 PolarHBondContact O-N 2.83Å; T65-S68 PolarHBondContact O-OG 3.49Å
66S91.7Very high92.4Very high46 Ų4671.8 Ų71.832%0.32241%0.405SS..THydrogen-bonded Turntrans-43.8132166.7-73.20000111.7S40 C89 N91S40-S66 PolarHBondContact O-N 2.88Å; S66-C89 WeakPolarHBondContact CA-O 3.25Å; S66-C89 PolarHBondContact N-SG 2.89Å; S66-C89 VanDerWaalsContact N-SG 3.41Å; S66-N91 PolarHBondContact OG-N 3.43Å
67G90.4Very high92.2Very high59 Ų5969.7 Ų69.761%0.60840%0.403SS*.THydrogen-bonded Turntrans94.3-14-171.900000114.8T65 C89T65-G67 PolarHBondContact O-N 3.22Å; G67-C89 PolarHBondContact N-O 3.45Å
68S93.5Very high92.2Very high24 Ų2468.4 Ų68.417%0.16839%0.386CS..  trans-64.6133.8171.9-57.10000110.8T65 T88 C89T65-S68 PolarHBondContact N-OG 2.73Å; T65-S68 WeakPolarHBondContact O-CB 3.38Å; T65-S68 PolarHBondContact O-N 2.83Å; T65-S68 PolarHBondContact O-OG 3.49Å; S68-T88 WeakPolarHBondContact O-CA 3.18Å; S68-C89 PolarHBondContact O-N 3.38Å
69V94.8Very high92.1Very high41 Ų4164.2 Ų64.225%0.24838%0.375CS..EExtended strand (participates in β ladder)trans-113.6136.2174.1177.90000109.1C55 H56 Y86 L87 T88C55-V69 WeakPolarHBondContact CA-O 3.44Å; H56-V69 HydrophobicContact CB-CB 4.26Å; H56-V69 HydrophobicContact CB-CG1 4.42Å; H56-V69 PolarHBondContact N-O 3.11Å; V69-Y86 HydrophobicContact CG1-CD1 4.45Å; V69-L87 WeakPolarHBondContact CA-O 3.43Å; V69-T88 HydrophobicContact CG2-CG2 4.05Å
70I94.9Very high92.1Very high0 Ų060.8 Ų60.80%035%0.35CS..EExtended strand (participates in β ladder)trans-115.7155.6169.664.7176.3000110.8P45 Y53 I54 Y72 Y86 L87 W94P45-I70 HydrophobicContact CB-CD1 3.53Å; P45-I70 HydrophobicContact CG-CD1 3.53Å; P45-I70 HydrophobicContact CG-CG2 4.34Å; Y53-I70 HydrophobicContact CD2-CB 4.3Å; Y53-I70 HydrophobicContact CD2-CG2 4.04Å; I54-I70 CarbonylContact O-C 3.12Å; I54-I70 WeakPolarHBondContact O-CA 3.3Å; I70-Y72 HydrophobicContact CD1-CE2 3.84Å; I70-Y72 HydrophobicContact CG1-CE2 4.43Å; I70-Y86 VanDerWaalsContact O-CA 3.26Å; I70-Y86 WeakPolarHBondContact O-CA 3.19Å; I70-L87 HydrophobicContact CD1-CB 4.07Å; I70-L87 HydrophobicContact CG1-CB 3.8Å; I70-L87 PolarHBondContact N-O 3.43Å; I70-L87 PolarHBondContact O-N 2.86Å; I70-W94 HydrophobicContact CD1-CD2 4.48Å; I70-W94 HydrophobicContact CD1-CE3 4.17Å; I70-W94 HydrophobicContact CD1-CH2 4.38Å; I70-W94 HydrophobicContact CD1-CZ3 4.1Å; I70-W94 HydrophobicContact CG1-CE3 4.27Å; I70-W94 HydrophobicContact CG1-CH2 4.49Å; I70-W94 HydrophobicContact CG1-CZ3 3.95Å; I70-W94 HydrophobicContact CG2-CH2 3.81Å; I70-W94 HydrophobicContact CG2-CZ3 3.99Å
71E95Very high91.9Very high23 Ų2363.5 Ų63.511%0.10736%0.356CS..EExtended strand (participates in β ladder)trans-125.3130.8170.4178.1-177.3175.200109Y53 I54 H56 L73 K85 Y86Y53-E71 CarbonylContact C-O 3.58Å; Y53-E71 WeakPolarHBondContact CA-O 3.3Å; Y53-E71 WeakPolarHBondContact CB-O 3.22Å; I54-E71 HydrophobicContact CD1-CB 4.27Å; I54-E71 HydrophobicContact CG1-CB 3.84Å; I54-E71 PolarHBondContact N-O 3.09Å; I54-E71 PolarHBondContact O-N 2.83Å; H56-E71 IonicContact CD2-OE2 2.63Å; H56-E71 IonicContact CE1-OE2 3.41Å; H56-E71 PolarHBondContact CE1-OE2 3.46Å; H56-E71 WeakPolarHBondContact NE2-CB 3.36Å; H56-E71 IonicContact NE2-OE2 2.72Å; H56-E71 PolarHBondContact NE2-OE2 2.68Å; E71-L73 HydrophobicContact CG-CD1 4.39Å; E71-K85 CarbonylContact C-O 3.54Å; E71-K85 WeakPolarHBondContact CA-O 3.21Å; E71-K85 HydrophobicContact CG-CD 3.9Å; E71-K85 HydrophobicContact CG-CG 4.14Å; E71-K85 WeakPolarHBondContact OE1-CD 3.29Å; E71-K85 WeakPolarHBondContact OE1-CE 3.14Å; E71-K85 IonicContact OE1-NZ 2.63Å; E71-K85 PolarHBondContact OE1-NZ 3.35Å; E71-Y86 HydrophobicContact CB-CD1 3.72Å; E71-Y86 HydrophobicContact CB-CE1 3.74Å; E71-Y86 HydrophobicContact CG-CD1 3.99Å; E71-Y86 HydrophobicContact CG-CE1 3.69Å
72Y95.1Very high91.7Very high5 Ų558.4 Ų58.42%0.0235%0.347CS..EExtended strand (participates in β ladder)trans-86.5142.6173.5-72.3-77.6000111.8P45 P46 P48 G52 Y53 I70 K85 L87 V100P45-Y72 WeakPolarHBondContact CB-OH 3.33Å; P46-Y72 WeakPolarHBondContact CD-OH 3.41Å; P46-Y72 WeakPolarHBondContact O-CE1 3.31Å; P46-Y72 PolarHBondContact O-OH 2.79Å; P48-Y72 HydrophobicContact CG-CD1 4.21Å; G52-Y72 WeakPolarHBondContact O-CA 3.15Å; Y53-Y72 HydrophobicContact CD1-CE1 4.21Å; Y53-Y72 HydrophobicContact CG-CE1 4.37Å; I70-Y72 HydrophobicContact CD1-CE2 3.84Å; I70-Y72 HydrophobicContact CG1-CE2 4.43Å; Y72-K85 PolarHBondContact N-O 3.3Å; Y72-L87 HydrophobicContact CD2-CD1 3.87Å; Y72-L87 HydrophobicContact CE2-CD1 3.54Å; Y72-L87 HydrophobicContact CE2-CD2 3.96Å; Y72-L87 HydrophobicContact CE2-CG 4.22Å; Y72-V100 HydrophobicContact CD1-CG1 3.65Å; Y72-V100 HydrophobicContact CD2-CG1 3.87Å; Y72-V100 HydrophobicContact CD2-CG2 4.13Å; Y72-V100 HydrophobicContact CE1-CG1 3.8Å; Y72-V100 HydrophobicContact CE2-CB 4.47Å; Y72-V100 HydrophobicContact CE2-CG1 4Å; Y72-V100 HydrophobicContact CE2-CG2 3.72Å; Y72-V100 HydrophobicContact CG-CG1 3.68Å
73L93.7Very high91.5Very high77 Ų7760.1 Ų60.140%0.40336%0.356SS..EExtended strand (participates in β ladder)trans-131.7139.9174.1-60.893.6000109.1G51 G52 I54 E71G51-L73 CarbonylContact C-O 3.21Å; G51-L73 WeakPolarHBondContact CA-O 3.19Å; G52-L73 PolarHBondContact N-O 2.86Å; G52-L73 PolarHBondContact O-N 2.87Å; I54-L73 HydrophobicContact CB-CD1 4.41Å; I54-L73 HydrophobicContact CD1-CD1 3.88Å; I54-L73 HydrophobicContact CG1-CD1 3.75Å; I54-L73 HydrophobicContact CG2-CD1 4.01Å; E71-L73 HydrophobicContact CG-CD1 4.39Å
74C94.3Very high91.5Very high34 Ų3462.5 Ų62.523%0.2336%0.355CS..EExtended strand (participates in β ladder)trans-96.8158171.9-610000110.7M79 L80 C102C74-M79 VanDerWaalsContact SG-C 3.52Å; C74-L80 PolarHBondContact SG-N 3.3Å; C74-L80 VanDerWaalsContact SG-N 3.4Å; C74-C102 WeakPolarHBondContact CA-SG 3.43Å; C74-C102 HydrophobicContact CB-CB 3.71Å; C74-C102 WeakPolarHBondContact CB-SG 3.44Å; C74-C102 VanDerWaalsContact SG-CA 3.6Å; C74-C102 WeakPolarHBondContact SG-CB 3.29Å; C74-C102 CovalentContact SG-SG 2.04Å; C74-C102 PolarHBondContact SG-SG 3.42Å
75A93.9Very high91.6Very high44 Ų4465.9 Ų65.936%0.36437%0.37SS..PPolyproline II helixtrans-64.2164.217400000111.8N50 G77 Y78N50-A75 WeakPolarHBondContact O-CB 3.38Å; N50-A75 PolarHBondContact O-N 2.85Å; A75-G77 PolarHBondContact O-N 3.41Å; A75-Y78 HydrophobicContact CB-CD2 4.27Å; A75-Y78 WeakPolarHBondContact O-CB 3.32Å; A75-Y78 PolarHBondContact O-N 3.46Å
76E92.7Very high91.7Very high186 Ų18666.8 Ų66.887%0.86937%0.366SS*.THydrogen-bonded Turntrans-57.8132.1176.6-176.7167-156.400111.1
77G89.8Confident91.8Very high31 Ų3164.9 Ų64.932%0.3235%0.352SS..THydrogen-bonded Turntrans87.6-5.8-174.100000114.8A75 N105A75-G77 PolarHBondContact O-N 3.41Å; G77-N105 WeakPolarHBondContact O-CB 3.32Å; G77-N105 PolarHBondContact O-N 2.81Å
78Y92.9Very high92Very high74 Ų7463.6 Ų63.629%0.2933%0.332SS..EExtended strand (participates in β ladder)trans-112.6152.2179.2-68.7-108.7000112.2N50 A75 C102 H103 L104N50-Y78 HydrophobicContact CB-CD1 3.57Å; N50-Y78 HydrophobicContact CB-CD2 4.11Å; N50-Y78 HydrophobicContact CB-CE1 3.44Å; N50-Y78 VanDerWaalsContact CB-CE1 3.44Å; N50-Y78 HydrophobicContact CB-CE2 4.02Å; N50-Y78 HydrophobicContact CB-CG 3.92Å; N50-Y78 PolarHBondContact ND2-OH 3.32Å; N50-Y78 WeakPolarHBondContact OD1-CE1 3.36Å; N50-Y78 PolarHBondContact OD1-OH 2.88Å; A75-Y78 HydrophobicContact CB-CD2 4.27Å; A75-Y78 WeakPolarHBondContact O-CB 3.32Å; A75-Y78 PolarHBondContact O-N 3.46Å; Y78-C102 HydrophobicContact CD1-CB 4.32Å; Y78-H103 CarbonylContact C-O 3.51Å; Y78-H103 WeakPolarHBondContact CA-O 3.27Å; Y78-H103 WeakPolarHBondContact CB-O 3.44Å; Y78-L104 HydrophobicContact CD2-CD1 4.37Å; Y78-L104 HydrophobicContact CE1-CB 4.49Å; Y78-L104 HydrophobicContact CE2-CD1 4.07Å
79M91.2Very high92Very high90 Ų9062.4 Ų62.444%0.44332%0.324SS..EExtended strand (participates in β ladder)trans-125.3149.2174.2-70.1-169.3-54.600111.4C74 C102 H103 N105C74-M79 VanDerWaalsContact SG-C 3.52Å; M79-C102 CarbonylContact O-C 3.51Å; M79-C102 WeakPolarHBondContact O-CA 3.38Å; M79-H103 PolarHBondContact N-O 2.82Å; M79-H103 PolarHBondContact O-N 3.46Å; M79-N105 HydrophobicContact CE-CB 4.11Å; M79-N105 WeakPolarHBondContact CE-OD1 3.46Å; M79-N105 HydrophobicContact CG-CB 3.98Å; M79-N105 HydrophobicContact SD-CB 4.36Å; M79-N105 PolarHBondContact SD-ND2 2.81Å; M79-N105 VanDerWaalsContact SD-ND2 3.36Å
80L91.1Very high91.9Very high37 Ų3766 Ų6619%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-72.4145.3175.3-175.365.2000110.5C74 G82 Y84 K85 V100C74-L80 PolarHBondContact SG-N 3.3Å; C74-L80 VanDerWaalsContact SG-N 3.4Å; L80-G82 VanDerWaalsContact C-N 3.33Å; L80-G82 PolarHBondContact O-N 3.5Å; L80-Y84 WeakPolarHBondContact CD2-O 3.46Å; L80-K85 HydrophobicContact CD2-CB 3.69Å; L80-V100 HydrophobicContact CD1-CG1 3.83Å
81K87.2Confident91.6Very high110 Ų11072.1 Ų72.148%0.47837%0.369SS..SBendtrans-66.784.2173.8-171.6175.3177.9175.90112.2E99 S101K81-E99 IonicContact NZ-OE2 3.84Å; K81-E99 PolarHBondContact NZ-OE2 3.12Å; K81-S101 WeakPolarHBondContact CB-OG 3.38Å; K81-S101 VanDerWaalsContact CD-OG 3.25Å; K81-S101 WeakPolarHBondContact CD-OG 3.4Å; K81-S101 PolarHBondContact N-O 2.79Å
82G84.9Confident91.4Very high45 Ų4571.8 Ų71.846%0.46437%0.371SS..SBendtrans98.1166.9177.600000114L80 Y84L80-G82 VanDerWaalsContact C-N 3.33Å; L80-G82 PolarHBondContact O-N 3.5Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.92Å
83D83.6Confident91.3Very high176 Ų17676.8 Ų76.894%0.94140%0.395SS*.SBendtrans-74.8-10.9-163.9-45.1-70.4000114.9
84Y88.5Confident91.2Very high132 Ų13274.4 Ų74.452%0.51838%0.381SS..  trans-98.4115.9-174.5-154.5-106.4000111.1L80 G82 Y86 P96 M98L80-Y84 WeakPolarHBondContact CD2-O 3.46Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.92Å; Y84-Y86 WeakPolarHBondContact CD1-O 3.43Å; Y84-Y86 WeakPolarHBondContact CE1-O 3.36Å; Y84-P96 HydrophobicContact CD1-CG 3.78Å; Y84-P96 HydrophobicContact CE1-CG 3.71Å; Y84-M98 HydrophobicContact CD1-SD 4.05Å; Y84-M98 WeakPolarHBondContact O-CE 3.09Å
85K92.6Very high91.1Very high80 Ų8076.3 Ų76.335%0.34839%0.385SS..  trans-111-2.4-175.262.7175.6178.4168.40115.9E71 Y72 L80E71-K85 CarbonylContact C-O 3.54Å; E71-K85 WeakPolarHBondContact CA-O 3.21Å; E71-K85 HydrophobicContact CG-CD 3.9Å; E71-K85 HydrophobicContact CG-CG 4.14Å; E71-K85 WeakPolarHBondContact OE1-CD 3.29Å; E71-K85 WeakPolarHBondContact OE1-CE 3.14Å; E71-K85 IonicContact OE1-NZ 2.63Å; E71-K85 PolarHBondContact OE1-NZ 3.35Å; Y72-K85 PolarHBondContact N-O 3.3Å; L80-K85 HydrophobicContact CD2-CB 3.69Å
86Y94.1Very high91Very high89 Ų8976.7 Ų76.735%0.34938%0.384SS..EExtended strand (participates in β ladder)trans-108.2137.1-174.1-58.6-77000112.2V69 I70 E71 Y84V69-Y86 HydrophobicContact CG1-CD1 4.45Å; I70-Y86 VanDerWaalsContact O-CA 3.26Å; I70-Y86 WeakPolarHBondContact O-CA 3.19Å; E71-Y86 HydrophobicContact CB-CD1 3.72Å; E71-Y86 HydrophobicContact CB-CE1 3.74Å; E71-Y86 HydrophobicContact CG-CD1 3.99Å; E71-Y86 HydrophobicContact CG-CE1 3.69Å; Y84-Y86 WeakPolarHBondContact CD1-O 3.43Å; Y84-Y86 WeakPolarHBondContact CE1-O 3.36Å
87L93.6Very high90.8Very high6 Ų672.2 Ų72.23%0.03138%0.379CS..EExtended strand (participates in β ladder)trans-123.3140.1168.3-78.865.3000109.4V69 I70 Y72 W94 M98V69-L87 WeakPolarHBondContact CA-O 3.43Å; I70-L87 HydrophobicContact CD1-CB 4.07Å; I70-L87 HydrophobicContact CG1-CB 3.8Å; I70-L87 PolarHBondContact N-O 3.43Å; I70-L87 PolarHBondContact O-N 2.86Å; Y72-L87 HydrophobicContact CD2-CD1 3.87Å; Y72-L87 HydrophobicContact CE2-CD1 3.54Å; Y72-L87 HydrophobicContact CE2-CD2 3.96Å; Y72-L87 HydrophobicContact CE2-CG 4.22Å; L87-W94 HydrophobicContact CB-CB 4.5Å; L87-W94 HydrophobicContact CB-CE3 4Å; L87-W94 HydrophobicContact CD2-CB 4Å; L87-M98 HydrophobicContact CD1-CE 3.49Å; L87-M98 VanDerWaalsContact CD1-CE 3.49Å; L87-M98 HydrophobicContact CD1-CG 4.44Å; L87-M98 HydrophobicContact CD1-SD 4.05Å
88T93.9Very high90.7Very high31 Ų3173.7 Ų73.719%0.1938%0.378CS..EExtended strand (participates in β ladder)trans-112.7129.5178-50.80000110.1S68 V69 K90 K95S68-T88 WeakPolarHBondContact O-CA 3.18Å; V69-T88 HydrophobicContact CG2-CG2 4.05Å; T88-K90 HydrophobicContact CG2-CD 4.48Å; T88-K90 HydrophobicContact CG2-CG 4.02Å; T88-K90 PolarHBondContact O-N 3.3Å; T88-K95 PolarHBondContact N-O 3.49Å; T88-K95 PolarHBondContact O-N 3.4Å
89C93.4Very high90.4Very high0 Ų076.7 Ų76.70%040%0.395CS..EExtended strand (participates in β ladder)trans-70.1121.5170.41790000109.9C42 S66 G67 S68 W94C42-C89 HydrophobicContact CB-CB 3.88Å; C42-C89 WeakPolarHBondContact CB-SG 3.49Å; C42-C89 WeakPolarHBondContact SG-CA 3.37Å; C42-C89 WeakPolarHBondContact SG-CB 2.96Å; C42-C89 CovalentContact SG-SG 2.02Å; C42-C89 PolarHBondContact SG-SG 2.9Å; S66-C89 WeakPolarHBondContact CA-O 3.25Å; S66-C89 PolarHBondContact N-SG 2.89Å; S66-C89 VanDerWaalsContact N-SG 3.41Å; G67-C89 PolarHBondContact N-O 3.45Å; S68-C89 PolarHBondContact O-N 3.38Å; C89-W94 HydrophobicContact CB-CE3 4.04Å; C89-W94 HydrophobicContact CB-CH2 3.88Å; C89-W94 HydrophobicContact CB-CZ2 4.38Å; C89-W94 HydrophobicContact CB-CZ3 3.7Å
90K93.2Very high90.3Very high117 Ų11773.4 Ų73.451%0.50938%0.38SS..EExtended strand (participates in β ladder)trans-139.8117.6177.2-65.3-175.2179.91780109.6T88 G92 E93 K95T88-K90 HydrophobicContact CG2-CD 4.48Å; T88-K90 HydrophobicContact CG2-CG 4.02Å; T88-K90 PolarHBondContact O-N 3.3Å; K90-G92 VanDerWaalsContact C-N 3.29Å; K90-G92 PolarHBondContact O-N 3.49Å; K90-E93 PolarHBondContact N-O 3.05Å; K90-E93 PolarHBondContact O-N 3.49Å; K90-E93 VanDerWaalsContact O-O 3.1Å; K90-K95 HydrophobicContact CB-CG 4.24Å; K90-K95 HydrophobicContact CD-CB 4.5Å
91N89.8Confident90.3Very high128 Ų12873 Ų7368%0.68438%0.38SS*.THydrogen-bonded Turntrans54.541.1177.2-58.16.1000113.3A39 S66 E93A39-N91 CarbonylContact O-C 3.44Å; A39-N91 WeakPolarHBondContact O-CA 3.06Å; S66-N91 PolarHBondContact OG-N 3.43Å; N91-E93 VanDerWaalsContact C-N 3.27Å; N91-E93 PolarHBondContact O-N 3.02Å
92G89.9Confident90.6Very high15 Ų1568.4 Ų68.416%0.15536%0.361CS..THydrogen-bonded Turntrans80.4-3.3-178.200000115.6A39 V41 P43 K90A39-G92 PolarHBondContact O-N 2.87Å; V41-G92 WeakPolarHBondContact O-CA 3.39Å; P43-G92 WeakPolarHBondContact CD-O 3.41Å; K90-G92 VanDerWaalsContact C-N 3.29Å; K90-G92 PolarHBondContact O-N 3.49Å
93E92.4Very high90.9Very high111 Ų11170.9 Ų70.952%0.51936%0.361SS..EExtended strand (participates in β ladder)trans-113.4143.4177.5-61.4-173.2123.800112.1K90 N91 K95K90-E93 PolarHBondContact N-O 3.05Å; K90-E93 PolarHBondContact O-N 3.49Å; K90-E93 VanDerWaalsContact O-O 3.1Å; N91-E93 VanDerWaalsContact C-N 3.27Å; N91-E93 PolarHBondContact O-N 3.02Å; E93-K95 IonicContact OE1-NZ 2.65Å; E93-K95 WeakPolarHBondContact OE2-CE 3.11Å; E93-K95 IonicContact OE2-NZ 3.88Å; E93-K95 PolarHBondContact OE2-NZ 2.88Å
94W92.8Very high91.3Very high26 Ų2667.8 Ų67.810%0.09834%0.344CS..EExtended strand (participates in β ladder)trans-77132.3168.3-66.6106000110.8C42 P43 P45 L64 I70 L87 C89C42-W94 HydrophobicContact CB-CD2 4.31Å; C42-W94 HydrophobicContact CB-CZ2 3.74Å; P43-W94 PolarHBondContact O-NE1 3.41Å; P45-W94 HydrophobicContact CG-CH2 4.3Å; P45-W94 HydrophobicContact CG-CZ2 3.69Å; L64-W94 HydrophobicContact CB-CH2 4.3Å; L64-W94 HydrophobicContact CB-CZ2 4.18Å; L64-W94 HydrophobicContact CD1-CH2 4.08Å; L64-W94 HydrophobicContact CD1-CZ2 3.81Å; I70-W94 HydrophobicContact CD1-CD2 4.48Å; I70-W94 HydrophobicContact CD1-CE3 4.17Å; I70-W94 HydrophobicContact CD1-CH2 4.38Å; I70-W94 HydrophobicContact CD1-CZ3 4.1Å; I70-W94 HydrophobicContact CG1-CE3 4.27Å; I70-W94 HydrophobicContact CG1-CH2 4.49Å; I70-W94 HydrophobicContact CG1-CZ3 3.95Å; I70-W94 HydrophobicContact CG2-CH2 3.81Å; I70-W94 HydrophobicContact CG2-CZ3 3.99Å; L87-W94 HydrophobicContact CB-CB 4.5Å; L87-W94 HydrophobicContact CB-CE3 4Å; L87-W94 HydrophobicContact CD2-CB 4Å; C89-W94 HydrophobicContact CB-CE3 4.04Å; C89-W94 HydrophobicContact CB-CH2 3.88Å; C89-W94 HydrophobicContact CB-CZ2 4.38Å; C89-W94 HydrophobicContact CB-CZ3 3.7Å
95K92.5Very high91Very high75 Ų7563 Ų6333%0.32633%0.327SS..EExtended strand (participates in β ladder)trans-127.7136.9178.5-58.8-61.9175.5-164.60110.9T88 K90 E93T88-K95 PolarHBondContact N-O 3.49Å; T88-K95 PolarHBondContact O-N 3.4Å; K90-K95 HydrophobicContact CB-CG 4.24Å; K90-K95 HydrophobicContact CD-CB 4.5Å; E93-K95 IonicContact OE1-NZ 2.65Å; E93-K95 WeakPolarHBondContact OE2-CE 3.11Å; E93-K95 IonicContact OE2-NZ 3.88Å; E93-K95 PolarHBondContact OE2-NZ 2.88Å
96P92Very high90Very high51 Ų5166 Ų6633%0.33134%0.343SS..SBendcis-66.4155.6-4.531.1-36.6000112Y84 M98Y84-P96 HydrophobicContact CD1-CG 3.78Å; Y84-P96 HydrophobicContact CE1-CG 3.71Å; P96-M98 HydrophobicContact CG-CG 4.48Å; P96-M98 HydrophobicContact CG-SD 3.75Å; P96-M98 PolarHBondContact O-N 2.86Å
97A88Confident88.4Confident93 Ų9365.6 Ų65.677%0.76935%0.346SS*.  trans-81.1100.3168.400000107.6
98M87Confident86.4Confident61 Ų6172.3 Ų72.330%0.338%0.375SS..  trans-136.2154.4-178.374.9-165.8-151.800110.2Y84 L87 P96 V100Y84-M98 HydrophobicContact CD1-SD 4.05Å; Y84-M98 WeakPolarHBondContact O-CE 3.09Å; L87-M98 HydrophobicContact CD1-CE 3.49Å; L87-M98 VanDerWaalsContact CD1-CE 3.49Å; L87-M98 HydrophobicContact CD1-CG 4.44Å; L87-M98 HydrophobicContact CD1-SD 4.05Å; P96-M98 HydrophobicContact CG-CG 4.48Å; P96-M98 HydrophobicContact CG-SD 3.75Å; P96-M98 PolarHBondContact O-N 2.86Å; M98-V100 HydrophobicContact CE-CG2 4.12Å; M98-V100 HydrophobicContact CG-CG2 4.3Å
99E86.7Confident84.3Confident137 Ų13778.5 Ų78.564%0.6440%0.402SS*.  trans-76.6131.6171.6-174.2177.4-130.500109.6K81K81-E99 IonicContact NZ-OE2 3.84Å; K81-E99 PolarHBondContact NZ-OE2 3.12Å
100V89.2Confident82.2Confident22 Ų2281.1 Ų81.113%0.13342%0.418CS..  trans-112.9114.1-177.9-179.20000108P48 Y72 L80 M98P48-V100 HydrophobicContact CB-CG1 4.17Å; P48-V100 HydrophobicContact CG-CG1 3.97Å; Y72-V100 HydrophobicContact CD1-CG1 3.65Å; Y72-V100 HydrophobicContact CD2-CG1 3.87Å; Y72-V100 HydrophobicContact CD2-CG2 4.13Å; Y72-V100 HydrophobicContact CE1-CG1 3.8Å; Y72-V100 HydrophobicContact CE2-CB 4.47Å; Y72-V100 HydrophobicContact CE2-CG1 4Å; Y72-V100 HydrophobicContact CE2-CG2 3.72Å; Y72-V100 HydrophobicContact CG-CG1 3.68Å; L80-V100 HydrophobicContact CD1-CG1 3.83Å; M98-V100 HydrophobicContact CE-CG2 4.12Å; M98-V100 HydrophobicContact CG-CG2 4.3Å
101S91.5Very high80.2Confident27 Ų2782.1 Ų82.119%0.18942%0.424CS..  trans-146.4140.9177.155.90000111.3K81 H103K81-S101 WeakPolarHBondContact CB-OG 3.38Å; K81-S101 VanDerWaalsContact CD-OG 3.25Å; K81-S101 WeakPolarHBondContact CD-OG 3.4Å; K81-S101 PolarHBondContact N-O 2.79Å; S101-H103 PolarHBondContact OG-NE2 3.43Å
102C93.7Very high78.3Confident14 Ų1479.4 Ų79.410%0.09542%0.42CS..EExtended strand (participates in β ladder)trans-97.9122.7174-67.70000109.2E49 N50 C74 Y78 M79E49-C102 WeakPolarHBondContact O-CB 3.45Å; N50-C102 HydrophobicContact CB-CB 4.47Å; C74-C102 WeakPolarHBondContact CA-SG 3.43Å; C74-C102 HydrophobicContact CB-CB 3.71Å; C74-C102 WeakPolarHBondContact CB-SG 3.44Å; C74-C102 VanDerWaalsContact SG-CA 3.6Å; C74-C102 WeakPolarHBondContact SG-CB 3.29Å; C74-C102 CovalentContact SG-SG 2.04Å; C74-C102 PolarHBondContact SG-SG 3.42Å; Y78-C102 HydrophobicContact CD1-CB 4.32Å; M79-C102 CarbonylContact O-C 3.51Å; M79-C102 WeakPolarHBondContact O-CA 3.38Å
103H91.5Very high76.4Confident97 Ų9781.8 Ų81.845%0.44943%0.434SS..EExtended strand (participates in β ladder)trans-109.1149.8178-64.8-85.5000110Y78 M79 S101 N105Y78-H103 CarbonylContact C-O 3.51Å; Y78-H103 WeakPolarHBondContact CA-O 3.27Å; Y78-H103 WeakPolarHBondContact CB-O 3.44Å; M79-H103 PolarHBondContact N-O 2.82Å; M79-H103 PolarHBondContact O-N 3.46Å; S101-H103 PolarHBondContact OG-NE2 3.43Å; H103-N105 PolarHBondContact O-N 3.45Å
104L90.2Very high74.6Confident111 Ų11181.7 Ų81.758%0.58144%0.436SS*.EExtended strand (participates in β ladder)trans-61.7134.8175.4-170.271.3000109.6Y78 E106Y78-L104 HydrophobicContact CD2-CD1 4.37Å; Y78-L104 HydrophobicContact CE1-CB 4.49Å; Y78-L104 HydrophobicContact CE2-CD1 4.07Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 3.43Å
105N82.3Confident72.7Confident32 Ų3282 Ų8217%0.17145%0.447CS..  trans-79.877.6177.8-172.7-8.6000110.1G77 M79 H103 D107 K108G77-N105 WeakPolarHBondContact O-CB 3.32Å; G77-N105 PolarHBondContact O-N 2.81Å; M79-N105 HydrophobicContact CE-CB 4.11Å; M79-N105 WeakPolarHBondContact CE-OD1 3.46Å; M79-N105 HydrophobicContact CG-CB 3.98Å; M79-N105 HydrophobicContact SD-CB 4.36Å; M79-N105 PolarHBondContact SD-ND2 2.81Å; M79-N105 VanDerWaalsContact SD-ND2 3.36Å; H103-N105 PolarHBondContact O-N 3.45Å; N105-D107 PolarHBondContact O-N 2.72Å; N105-D107 PolarHBondContact OD1-N 3.49Å; N105-K108 PolarHBondContact O-N 2.88Å; N105-K108 PolarHBondContact OD1-N 2.89Å
106E72Confident71.2Confident144 Ų14482.3 Ų82.367%0.67346%0.455SS*.THydrogen-bonded Turntrans-55.3-34.2173.8-61.4-171.1124.700110.6L104 K108 E109 T110L104-E106 VanDerWaalsContact C-N 3.29Å; L104-E106 PolarHBondContact O-N 3.43Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 2.95Å; E106-E109 CarbonylContact O-C 3.54Å; E106-E109 WeakPolarHBondContact O-CA 3.47Å; E106-E109 PolarHBondContact O-N 3.43Å; E106-T110 PolarHBondContact O-N 2.93Å; E106-T110 PolarHBondContact O-OG1 3.13Å; E106-T110 VanDerWaalsContact O-OG1 3.05Å
107D60Low70Confident79 Ų7983 Ų8342%0.42246%0.46SS..Hα-helixtrans-67.1-16.9-178.3-63.4-41.1000115.7N105 E109 T110 H111N105-D107 PolarHBondContact O-N 2.72Å; N105-D107 PolarHBondContact OD1-N 3.49Å; D107-E109 PolarHBondContact O-N 3.29Å; D107-T110 WeakPolarHBondContact CA-OG1 3.33Å; D107-T110 PolarHBondContact O-N 3.32Å; D107-T110 WeakPolarHBondContact OD1-CB 3.1Å; D107-T110 PolarHBondContact OD1-OG1 3.46Å; D107-T110 VanDerWaalsContact OD1-OG1 3.06Å; D107-H111 WeakPolarHBondContact O-CB 3.28Å; D107-H111 PolarHBondContact O-CD2 3.23Å; D107-H111 VanDerWaalsContact O-CD2 3.29Å; D107-H111 PolarHBondContact O-N 3.38Å
108K52.8Low69.2Low148 Ų14881.3 Ų81.364%0.64345%0.446SS*.Hα-helixtrans-69-25167.1-122.2-172.7179.9-172.50112.3N105 E106N105-K108 PolarHBondContact O-N 2.88Å; N105-K108 PolarHBondContact OD1-N 2.89Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 2.95Å
109E48.6Very low68.3Low160 Ų16084.4 Ų84.475%0.74846%0.463SS*.Hα-helixtrans-92.4-37.3165.2-58.6-155.2153.100111.5E106 D107 H111 A112 S113E106-E109 CarbonylContact O-C 3.54Å; E106-E109 WeakPolarHBondContact O-CA 3.47Å; E106-E109 PolarHBondContact O-N 3.43Å; D107-E109 PolarHBondContact O-N 3.29Å; E109-H111 PolarHBondContact O-N 3.16Å; E109-A112 PolarHBondContact O-N 3.35Å; E109-S113 WeakPolarHBondContact O-CB 3.01Å; E109-S113 PolarHBondContact O-N 3.37Å
110T50.9Low68Low56 Ų5681.2 Ų81.234%0.34446%0.456SS..Hα-helixtrans-62.3-38-180-35.90000112.9E106 D107 S113 L114E106-T110 PolarHBondContact O-N 2.93Å; E106-T110 PolarHBondContact O-OG1 3.13Å; E106-T110 VanDerWaalsContact O-OG1 3.05Å; D107-T110 WeakPolarHBondContact CA-OG1 3.33Å; D107-T110 PolarHBondContact O-N 3.32Å; D107-T110 WeakPolarHBondContact OD1-CB 3.1Å; D107-T110 PolarHBondContact OD1-OG1 3.46Å; D107-T110 VanDerWaalsContact OD1-OG1 3.06Å; T110-S113 CarbonylContact O-C 3.55Å; T110-S113 WeakPolarHBondContact O-CB 3.23Å; T110-S113 PolarHBondContact O-N 3.25Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 WeakPolarHBondContact O-CG 2.8Å; T110-L114 PolarHBondContact O-N 2.85Å
111H49.7Very low67.6Low137 Ų13785.4 Ų85.463%0.63448%0.477SS*.Hα-helixtrans-74.1-27.4178.1-77.7-64.9000113.9D107 E109D107-H111 WeakPolarHBondContact O-CB 3.28Å; D107-H111 PolarHBondContact O-CD2 3.23Å; D107-H111 VanDerWaalsContact O-CD2 3.29Å; D107-H111 PolarHBondContact O-N 3.38Å; E109-H111 PolarHBondContact O-N 3.16Å
112A49.8Very low67.3Low72 Ų7288.5 Ų88.560%0.59549%0.494SS*.Hα-helixtrans-71.1-43.3164.900000110.4E109 L114 G115E109-A112 PolarHBondContact O-N 3.35Å; A112-L114 VanDerWaalsContact C-N 3.3Å; A112-L114 PolarHBondContact O-N 2.76Å; A112-G115 PolarHBondContact O-N 3.06Å; A112-G115 VanDerWaalsContact O-N 3.16Å
113S50.4Low67Low65 Ų6590.7 Ų90.746%0.45551%0.513SS..Hα-helixtrans-64.2-28.3179.5-164.60000112.9E109 T110 G115 V116 P117E109-S113 WeakPolarHBondContact O-CB 3.01Å; E109-S113 PolarHBondContact O-N 3.37Å; T110-S113 CarbonylContact O-C 3.55Å; T110-S113 WeakPolarHBondContact O-CB 3.23Å; T110-S113 PolarHBondContact O-N 3.25Å; S113-G115 PolarHBondContact O-N 2.89Å; S113-V116 WeakPolarHBondContact O-CA 3.49Å; S113-V116 VanDerWaalsContact O-CB 3.28Å; S113-V116 WeakPolarHBondContact O-CB 3.36Å; S113-V116 PolarHBondContact O-N 3.41Å; S113-P117 WeakPolarHBondContact O-CD 3.16Å
114L54.2Low66.9Low108 Ų10889.8 Ų89.857%0.56552%0.518SS*.THydrogen-bonded Turntrans-64.8-25175-84.9163.3000113.1T110 A112 P117T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 WeakPolarHBondContact O-CG 2.8Å; T110-L114 PolarHBondContact O-N 2.85Å; A112-L114 VanDerWaalsContact C-N 3.3Å; A112-L114 PolarHBondContact O-N 2.76Å; L114-P117 WeakPolarHBondContact O-CD 3.37Å
115G54Low67Low32 Ų3288 Ų8833%0.3351%0.512SS..Hα-helixtrans-77.3-24.7167.600000113.6A112 S113 A118 L119A112-G115 PolarHBondContact O-N 3.06Å; A112-G115 VanDerWaalsContact O-N 3.16Å; S113-G115 PolarHBondContact O-N 2.89Å; G115-A118 PolarHBondContact O-N 2.74Å; G115-L119 WeakPolarHBondContact O-CB 3.33Å; G115-L119 WeakPolarHBondContact O-CG 3.2Å; G115-L119 PolarHBondContact O-N 3.41Å
116V60.5Low67.5Low82 Ų8289.3 Ų89.350%0.49753%0.527SS..Hα-helixtrans-67.4-42.2-175.3179.70000114.2S113 A118 S120S113-V116 WeakPolarHBondContact O-CA 3.49Å; S113-V116 VanDerWaalsContact O-CB 3.28Å; S113-V116 WeakPolarHBondContact O-CB 3.36Å; S113-V116 PolarHBondContact O-N 3.41Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 3.29Å; V116-S120 WeakPolarHBondContact O-CA 3.22Å; V116-S120 WeakPolarHBondContact O-CB 3.39Å; V116-S120 PolarHBondContact O-N 2.79Å
117P67.5Low68.6Low67 Ų6785.4 Ų85.444%0.43552%0.516SS..Hα-helixtrans-66.8-38.2175.627.9-34.5000110.8S113 L114 S120 I121S113-P117 WeakPolarHBondContact O-CD 3.16Å; L114-P117 WeakPolarHBondContact O-CD 3.37Å; P117-S120 PolarHBondContact O-N 3.43Å; P117-I121 VanDerWaalsContact O-CB 3.23Å; P117-I121 WeakPolarHBondContact O-CB 3.48Å; P117-I121 WeakPolarHBondContact O-CD1 3.41Å; P117-I121 WeakPolarHBondContact O-CG1 3.18Å; P117-I121 PolarHBondContact O-N 2.99Å
118A70.6Confident70.3Confident56 Ų5684.2 Ų84.246%0.46351%0.514SS..Hα-helixtrans-61.7-51.8176.300000111.3G115 V116 S120 I121 V122G115-A118 PolarHBondContact O-N 2.74Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 3.29Å; A118-S120 PolarHBondContact O-N 2.97Å; A118-I121 PolarHBondContact O-N 3.23Å; A118-V122 WeakPolarHBondContact O-CB 3.49Å; A118-V122 VanDerWaalsContact O-CG2 3.29Å; A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 3.22Å
119L69.4Low72.3Confident126 Ų12681.1 Ų81.166%0.6651%0.507SS*.Hα-helixtrans-65.6-35.3177.6-69.4173.6000112.8G115 A123G115-L119 WeakPolarHBondContact O-CB 3.33Å; G115-L119 WeakPolarHBondContact O-CG 3.2Å; G115-L119 PolarHBondContact O-N 3.41Å; L119-A123 WeakPolarHBondContact O-CB 3.44Å; L119-A123 PolarHBondContact O-N 2.8Å
120S80Confident74.6Confident71 Ų7176.2 Ų76.250%0.49749%0.494SS..Hα-helixtrans-70.5-41.1176.9-175.50000112.1V116 P117 A118 A123 S124V116-S120 WeakPolarHBondContact O-CA 3.22Å; V116-S120 WeakPolarHBondContact O-CB 3.39Å; V116-S120 PolarHBondContact O-N 2.79Å; P117-S120 PolarHBondContact O-N 3.43Å; A118-S120 PolarHBondContact O-N 2.97Å; S120-A123 PolarHBondContact O-N 3.19Å; S120-S124 WeakPolarHBondContact O-CB 3.02Å; S120-S124 PolarHBondContact O-N 3.36Å
121I80.4Confident76.7Confident110 Ų11078.1 Ų78.156%0.56450%0.501SS*.Hα-helixtrans-64.6-44.6173.6-70163.3000110.1P117 A118 S124 T125P117-I121 VanDerWaalsContact O-CB 3.23Å; P117-I121 WeakPolarHBondContact O-CB 3.48Å; P117-I121 WeakPolarHBondContact O-CD1 3.41Å; P117-I121 WeakPolarHBondContact O-CG1 3.18Å; P117-I121 PolarHBondContact O-N 2.99Å; A118-I121 PolarHBondContact O-N 3.23Å; I121-S124 PolarHBondContact O-N 3.24Å; I121-T125 WeakPolarHBondContact O-CB 3.38Å; I121-T125 WeakPolarHBondContact O-CG2 3.39Å; I121-T125 PolarHBondContact O-N 3.22Å; I121-T125 PolarHBondContact O-OG1 3.05Å
122V84.4Confident78.9Confident91 Ų9176.5 Ų76.555%0.55250%0.496SS*.Hα-helixtrans-63.6-44.3175.5170.90000111.6A118 T125 A126A118-V122 WeakPolarHBondContact O-CB 3.49Å; A118-V122 VanDerWaalsContact O-CG2 3.29Å; A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 3.22Å; V122-T125 WeakPolarHBondContact CA-OG1 3.18Å; V122-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 VanDerWaalsContact O-OG1 3.12Å; V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 3.06Å
123A87.3Confident81.1Confident61 Ų6178.1 Ų78.150%0.50449%0.494SS..Hα-helixtrans-65.3-40.6176.400000112.5L119 S120 S127L119-A123 WeakPolarHBondContact O-CB 3.44Å; L119-A123 PolarHBondContact O-N 2.8Å; S120-A123 PolarHBondContact O-N 3.19Å; A123-S127 WeakPolarHBondContact O-CB 3.03Å; A123-S127 PolarHBondContact O-N 3.41Å
124S89.8Confident83.2Confident78 Ų7880.3 Ų80.355%0.54550%0.5SS..Hα-helixtrans-66.8-43.2177.9-176.30000111.9S120 I121 S127 S128S120-S124 WeakPolarHBondContact O-CB 3.02Å; S120-S124 PolarHBondContact O-N 3.36Å; I121-S124 PolarHBondContact O-N 3.24Å; S124-S127 PolarHBondContact O-N 3.09Å; S124-S128 WeakPolarHBondContact O-CB 3.45Å; S124-S128 PolarHBondContact O-N 2.84Å; S124-S128 PolarHBondContact O-OG 2.92Å
125T92.1Very high85.1Confident73 Ų7379.5 Ų79.545%0.44850%0.496SS..Hα-helixtrans-70.6-41.117649.50000112.7I121 V122 S127 S128 V129I121-T125 WeakPolarHBondContact O-CB 3.38Å; I121-T125 WeakPolarHBondContact O-CG2 3.39Å; I121-T125 PolarHBondContact O-N 3.22Å; I121-T125 PolarHBondContact O-OG1 3.05Å; V122-T125 WeakPolarHBondContact CA-OG1 3.18Å; V122-T125 PolarHBondContact O-OG1 2.79Å; V122-T125 VanDerWaalsContact O-OG1 3.12Å; T125-S127 VanDerWaalsContact C-N 3.34Å; T125-S127 PolarHBondContact O-N 3.27Å; T125-S128 PolarHBondContact O-N 2.85Å; T125-S128 PolarHBondContact O-OG 2.04Å; T125-S128 VanDerWaalsContact O-OG 3.05Å; T125-V129 WeakPolarHBondContact O-CG2 3.36Å; T125-V129 PolarHBondContact O-N 3.4Å
126A93Very high87Confident59 Ų5981.8 Ų81.849%0.48850%0.503SS..Hα-helixtrans-62.3-42.2172.800000111.6V122 A130V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 3.06Å; A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.22Å; A126-A130 PolarHBondContact O-N 2.87Å
127S95Very high88.5Confident63 Ų6381.8 Ų81.844%0.44150%0.503SS..Hα-helixtrans-64.3-44176-176.30000112.1A123 S124 T125 A130 L131A123-S127 WeakPolarHBondContact O-CB 3.03Å; A123-S127 PolarHBondContact O-N 3.41Å; S124-S127 PolarHBondContact O-N 3.09Å; T125-S127 VanDerWaalsContact C-N 3.34Å; T125-S127 PolarHBondContact O-N 3.27Å; S127-A130 PolarHBondContact O-N 2.8Å; S127-L131 WeakPolarHBondContact O-CB 3.47Å; S127-L131 VanDerWaalsContact O-CG 3.31Å; S127-L131 WeakPolarHBondContact O-CG 3.18Å; S127-L131 PolarHBondContact O-N 3.23Å
128S95.2Very high89.6Confident54 Ų5482.7 Ų82.738%0.37850%0.504SS..Hα-helixtrans-65.8-41.3178.772.30000112.1S124 T125 L131 I132S124-S128 WeakPolarHBondContact O-CB 3.45Å; S124-S128 PolarHBondContact O-N 2.84Å; S124-S128 PolarHBondContact O-OG 2.92Å; T125-S128 PolarHBondContact O-N 2.85Å; T125-S128 PolarHBondContact O-OG 2.04Å; T125-S128 VanDerWaalsContact O-OG 3.05Å; S128-L131 PolarHBondContact O-N 2.72Å; S128-I132 WeakPolarHBondContact O-CB 3.46Å; S128-I132 WeakPolarHBondContact O-CD1 3.25Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.65Å
129V96.4Very high90.5Very high82 Ų8285.9 Ų85.950%0.49751%0.508SS..Hα-helixtrans-63.5-44.4172.9172.90000111.1T125 L131 I132 L133T125-V129 WeakPolarHBondContact O-CG2 3.36Å; T125-V129 PolarHBondContact O-N 3.4Å; V129-L131 PolarHBondContact O-N 3.41Å; V129-I132 PolarHBondContact O-N 3.3Å; V129-L133 HydrophobicContact CG1-CD1 4Å; V129-L133 HydrophobicContact CG1-CG 4.37Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 WeakPolarHBondContact O-CG 3.34Å; V129-L133 PolarHBondContact O-N 2.81Å
130A95.5Very high91.4Very high58 Ų5884.5 Ų84.548%0.47950%0.504SS..Hα-helixtrans-62-40.717700000112.6A126 S127 L133 L134A126-A130 VanDerWaalsContact O-CB 3.27Å; A126-A130 WeakPolarHBondContact O-CB 3.22Å; A126-A130 PolarHBondContact O-N 2.87Å; S127-A130 PolarHBondContact O-N 2.8Å; A130-L133 PolarHBondContact O-N 2.89Å; A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 PolarHBondContact O-N 2.95Å
131L95.8Very high91.7Very high96 Ų9686.7 Ų86.750%0.50351%0.51SS..Hα-helixtrans-67.6-40.1175.2-73.1171.9000112.3S127 S128 V129 L134 L135S127-L131 WeakPolarHBondContact O-CB 3.47Å; S127-L131 VanDerWaalsContact O-CG 3.31Å; S127-L131 WeakPolarHBondContact O-CG 3.18Å; S127-L131 PolarHBondContact O-N 3.23Å; S128-L131 PolarHBondContact O-N 2.72Å; V129-L131 PolarHBondContact O-N 3.41Å; L131-L134 PolarHBondContact O-N 2.04Å; L131-L135 WeakPolarHBondContact O-CB 3.21Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.87Å
132I95.6Very high91.6Very high102 Ų10284.4 Ų84.452%0.52350%0.499SS..Hα-helixtrans-62.9-46.6174.5-70.8163.3000110.3S128 V129 L135 V136S128-I132 WeakPolarHBondContact O-CB 3.46Å; S128-I132 WeakPolarHBondContact O-CD1 3.25Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.65Å; V129-I132 PolarHBondContact O-N 3.3Å; I132-L135 PolarHBondContact O-N 3.21Å; I132-V136 WeakPolarHBondContact O-CG2 3.23Å; I132-V136 PolarHBondContact O-N 2.88Å
133L95.4Very high90.9Very high107 Ų10784.1 Ų84.156%0.5649%0.491SS*.Hα-helixtrans-62.8-42.8176.6-71.5176.2000112V129 A130 L135 V136 V137V129-L133 HydrophobicContact CG1-CD1 4Å; V129-L133 HydrophobicContact CG1-CG 4.37Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 WeakPolarHBondContact O-CG 3.34Å; V129-L133 PolarHBondContact O-N 2.81Å; A130-L133 PolarHBondContact O-N 2.89Å; L133-L135 PolarHBondContact O-N 2.85Å; L133-V136 PolarHBondContact O-N 3.01Å; L133-V137 WeakPolarHBondContact O-CB 3.02Å; L133-V137 WeakPolarHBondContact O-CG2 3.47Å; L133-V137 PolarHBondContact O-N 2.92Å
134L95.1Very high89.7Confident110 Ų11085.3 Ų85.358%0.57649%0.494SS*.Hα-helixtrans-61.5-43.2175.3-179.964000111.6A130 L131 V137 L138A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 PolarHBondContact O-N 2.95Å; L131-L134 PolarHBondContact O-N 2.04Å; L134-V137 PolarHBondContact O-N 2.88Å; L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 PolarHBondContact O-N 2.63Å
135L93.4Very high88.4Confident92 Ų9288.1 Ų88.148%0.48250%0.496SS..Hα-helixtrans-65.2-42.1175.2-74.8172.3000111.7L131 I132 L133 L138 F139L131-L135 WeakPolarHBondContact O-CB 3.21Å; L131-L135 VanDerWaalsContact O-CG 3.29Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.87Å; I132-L135 PolarHBondContact O-N 3.21Å; L133-L135 PolarHBondContact O-N 2.85Å; L135-L138 PolarHBondContact O-N 3.23Å; L135-F139 WeakPolarHBondContact O-CB 3.19Å; L135-F139 WeakPolarHBondContact O-CD2 3.38Å; L135-F139 PolarHBondContact O-N 3.08Å
136V94.4Very high86.9Confident79 Ų7988.6 Ų88.648%0.47950%0.496SS..Hα-helixtrans-62.7-45.8176168.40000111I132 L133 F139 V140I132-V136 WeakPolarHBondContact O-CG2 3.23Å; I132-V136 PolarHBondContact O-N 2.88Å; L133-V136 PolarHBondContact O-N 3.01Å; V136-F139 PolarHBondContact O-N 2.69Å; V136-V140 HydrophobicContact CG1-CG2 4.46Å; V136-V140 WeakPolarHBondContact O-CB 3.38Å; V136-V140 VanDerWaalsContact O-CG2 3.3Å; V136-V140 WeakPolarHBondContact O-CG2 3.04Å; V136-V140 PolarHBondContact O-N 2.95Å
137V93.1Very high85.3Confident82 Ų8292.5 Ų92.550%0.49750%0.501SS..Hα-helixtrans-63.1-45.3175.4170.50000110.9L133 L134 F139 V140 L141L133-V137 WeakPolarHBondContact O-CB 3.02Å; L133-V137 WeakPolarHBondContact O-CG2 3.47Å; L133-V137 PolarHBondContact O-N 2.92Å; L134-V137 PolarHBondContact O-N 2.88Å; V137-F139 VanDerWaalsContact C-N 3.35Å; V137-F139 PolarHBondContact O-N 3.44Å; V137-V140 PolarHBondContact O-N 3.25Å; V137-L141 HydrophobicContact CG1-CD1 3.79Å; V137-L141 HydrophobicContact CG1-CG 4.31Å; V137-L141 WeakPolarHBondContact O-CB 2.99Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.26Å; V137-L141 PolarHBondContact O-N 2.82Å
138L90.4Very high83.5Confident86 Ų8693.2 Ų93.245%0.4551%0.506SS..Hα-helixtrans-60.1-43.9176.3-179.662.1000111.2L134 L135 L141 L142L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 PolarHBondContact O-N 2.63Å; L135-L138 PolarHBondContact O-N 3.23Å; L138-L141 PolarHBondContact O-N 3.32Å; L138-L142 HydrophobicContact CD1-CD1 3.83Å; L138-L142 HydrophobicContact CD1-CG 3.98Å; L138-L142 HydrophobicContact CG-CD1 3.81Å; L138-L142 HydrophobicContact CG-CG 4.32Å; L138-L142 WeakPolarHBondContact O-CB 3.46Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 2.81Å
139F88.3Confident81.6Confident124 Ų12496.1 Ų96.154%0.54451%0.512SS..Hα-helixtrans-64.3-44.1173.9-83.9-61.7000111.9L135 V136 V137 L141 L142 Q143L135-F139 WeakPolarHBondContact O-CB 3.19Å; L135-F139 WeakPolarHBondContact O-CD2 3.38Å; L135-F139 PolarHBondContact O-N 3.08Å; V136-F139 PolarHBondContact O-N 2.69Å; V137-F139 VanDerWaalsContact C-N 3.35Å; V137-F139 PolarHBondContact O-N 3.44Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.83Å; F139-L142 CarbonylContact O-C 3.56Å; F139-L142 PolarHBondContact O-N 3.41Å; F139-Q143 VanDerWaalsContact O-CB 3.31Å; F139-Q143 WeakPolarHBondContact O-CB 3.47Å; F139-Q143 WeakPolarHBondContact O-CG 3.46Å; F139-Q143 PolarHBondContact O-N 2.02Å
140V89.3Confident79.5Confident96 Ų9699.1 Ų99.158%0.58252%0.521SS*.Hα-helixtrans-64.5-36.2178.8169.40000111.9V136 V137 P144V136-V140 HydrophobicContact CG1-CG2 4.46Å; V136-V140 WeakPolarHBondContact O-CB 3.38Å; V136-V140 VanDerWaalsContact O-CG2 3.3Å; V136-V140 WeakPolarHBondContact O-CG2 3.04Å; V136-V140 PolarHBondContact O-N 2.95Å; V137-V140 PolarHBondContact O-N 3.25Å; V140-P144 WeakPolarHBondContact O-CD 2.98Å
141L85.4Confident77.4Confident117 Ų117103.3 Ų103.361%0.61353%0.53SS*.Hα-helixtrans-77.1-33.7174.8-66.3174.8000112.8V137 L138 F139V137-L141 HydrophobicContact CG1-CD1 3.79Å; V137-L141 HydrophobicContact CG1-CG 4.31Å; V137-L141 WeakPolarHBondContact O-CB 2.99Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.26Å; V137-L141 PolarHBondContact O-N 2.82Å; L138-L141 PolarHBondContact O-N 3.32Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.83Å
142L79Confident75.3Confident63 Ų63101.4 Ų101.433%0.3353%0.525SS..Hα-helixtrans-75.8-25.9173.4-75177.5000112.5L138 F139 K145 L146L138-L142 HydrophobicContact CD1-CD1 3.83Å; L138-L142 HydrophobicContact CD1-CG 3.98Å; L138-L142 HydrophobicContact CG-CD1 3.81Å; L138-L142 HydrophobicContact CG-CG 4.32Å; L138-L142 WeakPolarHBondContact O-CB 3.46Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 2.81Å; F139-L142 CarbonylContact O-C 3.56Å; F139-L142 PolarHBondContact O-N 3.41Å; L142-K145 CarbonylContact O-C 3.47Å; L142-K145 PolarHBondContact O-N 2.89Å; L142-K145 VanDerWaalsContact O-N 3.11Å; L142-L146 HydrophobicContact CB-CD1 3.88Å; L142-L146 HydrophobicContact CB-CG 4.16Å; L142-L146 HydrophobicContact CD1-CD1 4.45Å; L142-L146 VanDerWaalsContact O-CB 3.24Å; L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 WeakPolarHBondContact O-CG 3.02Å; L142-L146 PolarHBondContact O-N 3.29Å
143Q69.5Low73.1Confident84 Ų84106.5 Ų106.539%0.39354%0.537SS..Hα-helixtrans-59.6-45.1-177.8-84.5-79.7-32.900112.7F139 K147F139-Q143 VanDerWaalsContact O-CB 3.31Å; F139-Q143 WeakPolarHBondContact O-CB 3.47Å; F139-Q143 WeakPolarHBondContact O-CG 3.46Å; F139-Q143 PolarHBondContact O-N 2.02Å; Q143-K147 VanDerWaalsContact O-CB 3.22Å; Q143-K147 WeakPolarHBondContact O-CB 3.21Å; Q143-K147 VanDerWaalsContact O-CG 3.3Å; Q143-K147 WeakPolarHBondContact O-CG 3.49Å; Q143-K147 PolarHBondContact O-N 3.35Å
144P63.2Low70.7Confident86 Ų86110.8 Ų110.856%0.55855%0.546SS*.Hα-helixtrans-57.9-46.9168.9-2734.7000113.3V140 S148V140-P144 WeakPolarHBondContact O-CD 2.98Å; P144-S148 WeakPolarHBondContact O-CB 2.98Å; P144-S148 PolarHBondContact O-N 2.85Å
145K61.5Low68.4Low137 Ų137112.2 Ų112.260%0.59655%0.55SS*.Hα-helixtrans-65.6-44.5-179.2-66.5-69.4-174.5176.60112.1L142 S148 F149L142-K145 CarbonylContact O-C 3.47Å; L142-K145 PolarHBondContact O-N 2.89Å; L142-K145 VanDerWaalsContact O-N 3.11Å; K145-S148 WeakPolarHBondContact O-CB 3.41Å; K145-S148 PolarHBondContact O-N 2.83Å; K145-F149 WeakPolarHBondContact O-CD2 3.36Å; K145-F149 PolarHBondContact O-N 2.89Å
146L59.9Low66.2Low84 Ų84115.9 Ų115.944%0.4457%0.565SS.*Hα-helixtrans-78.1-26.8-177.6-67178.8000112.6L142 F149 H150L142-L146 HydrophobicContact CB-CD1 3.88Å; L142-L146 HydrophobicContact CB-CG 4.16Å; L142-L146 HydrophobicContact CD1-CD1 4.45Å; L142-L146 VanDerWaalsContact O-CB 3.24Å; L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 WeakPolarHBondContact O-CG 3.02Å; L142-L146 PolarHBondContact O-N 3.29Å; L146-F149 HydrophobicContact CD2-CD2 4.4Å; L146-F149 CarbonylContact O-C 3.47Å; L146-H150 WeakPolarHBondContact O-CB 3.48Å; L146-H150 PolarHBondContact O-N 3.49Å
147K59.2Low63.6Low140 Ų140115.2 Ų115.261%0.60957%0.573SS**Hα-helixtrans-71.8-39.4167.2-76.7168.8169.7153.50111.5Q143 H150 H151Q143-K147 VanDerWaalsContact O-CB 3.22Å; Q143-K147 WeakPolarHBondContact O-CB 3.21Å; Q143-K147 VanDerWaalsContact O-CG 3.3Å; Q143-K147 WeakPolarHBondContact O-CG 3.49Å; Q143-K147 PolarHBondContact O-N 3.35Å; K147-H150 PolarHBondContact O-N 3.37Å; K147-H150 VanDerWaalsContact O-N 3.09Å; K147-H151 PolarHBondContact O-N 2.83Å
148S57.8Low61.2Low78 Ų78116 Ų11655%0.54558%0.578SS.*Hα-helixtrans-58.2-46.7167.41710000111.4P144 K145 H150 H151 S152P144-S148 WeakPolarHBondContact O-CB 2.98Å; P144-S148 PolarHBondContact O-N 2.85Å; K145-S148 WeakPolarHBondContact O-CB 3.41Å; K145-S148 PolarHBondContact O-N 2.83Å; S148-H150 VanDerWaalsContact C-N 3.31Å; S148-H150 PolarHBondContact O-N 2.85Å; S148-H151 PolarHBondContact O-N 3.39Å; S148-S152 PolarHBondContact O-N 3.32Å
149F54.8Low59.1Low115 Ų115118.2 Ų118.250%0.50460%0.601SS.*Hα-helixtrans-68-22.7172.2-73.1-60.2000113.9K145 L146 H151 R153K145-F149 WeakPolarHBondContact O-CD2 3.36Å; K145-F149 PolarHBondContact O-N 2.89Å; L146-F149 HydrophobicContact CD2-CD2 4.4Å; L146-F149 CarbonylContact O-C 3.47Å; F149-H151 VanDerWaalsContact C-N 3.26Å; F149-H151 PolarHBondContact O-N 3.41Å; F149-R153 WeakPolarHBondContact O-CA 3.24Å; F149-R153 WeakPolarHBondContact O-CB 3.33Å; F149-R153 PolarHBondContact O-N 3.24Å
150H52.8Low57.2Low145 Ų145115.2 Ų115.267%0.67161%0.605SS**Hα-helixtrans-76.5-17.5175.8-140.8-56.6000112.9L146 K147 S148L146-H150 WeakPolarHBondContact O-CB 3.48Å; L146-H150 PolarHBondContact O-N 3.49Å; K147-H150 PolarHBondContact O-N 3.37Å; K147-H150 VanDerWaalsContact O-N 3.09Å; S148-H150 VanDerWaalsContact C-N 3.31Å; S148-H150 PolarHBondContact O-N 2.85Å
151H50.9Low55.2Low146 Ų146117.2 Ų117.268%0.67661%0.612SS**Hα-helixtrans-81.1-59.2163.8-159.220.6000109.5K147 S148 F149 R153 R154K147-H151 PolarHBondContact O-N 2.83Å; S148-H151 PolarHBondContact O-N 3.39Å; F149-H151 VanDerWaalsContact C-N 3.26Å; F149-H151 PolarHBondContact O-N 3.41Å; H151-R153 VanDerWaalsContact C-N 3.32Å; H151-R153 PolarHBondContact O-N 2.63Å; H151-R154 PolarHBondContact O-N 3.05Å; H151-R154 VanDerWaalsContact O-N 3.08Å
152S52.4Low53.7Low56 Ų56117.9 Ų117.939%0.39261%0.612SS.*Hα-helixtrans-58.2-33.8-177.4148.40000114.9S148 Q156S148-S152 PolarHBondContact O-N 3.32Å; S152-Q156 PolarHBondContact O-N 3.36Å
153R48.7Very low52.7Low209 Ų209120.4 Ų120.479%0.78963%0.63SS**Hα-helixtrans-87.3-4.2-178.4-156.7-179.2-165.3-168.65.6113.4F149 H151F149-R153 WeakPolarHBondContact O-CA 3.24Å; F149-R153 WeakPolarHBondContact O-CB 3.33Å; F149-R153 PolarHBondContact O-N 3.24Å; H151-R153 VanDerWaalsContact C-N 3.32Å; H151-R153 PolarHBondContact O-N 2.63Å
154R46.8Very low52.1Low198 Ų198118.5 Ų118.575%0.74763%0.626SS**Hα-helixtrans-84.5-35.3167.6-160.3169.1-171.6155.22.1111H151H151-R154 PolarHBondContact O-N 3.05Å; H151-R154 VanDerWaalsContact O-N 3.08Å
155E46.2Very low52.1Low139 Ų139118.6 Ų118.665%0.6562%0.621SS**Hα-helixtrans-69.7-39174.2-52.4-55.6103.400112.5G157E155-G157 PolarHBondContact O-N 3.02Å
156Q47.1Very low52.4Low170 Ų170118.4 Ų118.479%0.79462%0.624SS**THydrogen-bonded Turntrans-80.119.8-172.2-148.376.160.800115.1S152S152-Q156 PolarHBondContact O-N 3.36Å
157G39Very low52.6Low64 Ų64118.4 Ų118.466%0.6663%0.627SS**THydrogen-bonded Turntrans-133.6-14.4-167.500000117.3E155E155-G157 PolarHBondContact O-N 3.02Å
158V43.6Very low53.1Low100 Ų100120 Ų12061%0.60664%0.643SS**  trans-128.7116.8178.7173.40000109.6G160 D161V158-G160 PolarHBondContact O-N 3.4Å; V158-G160 VanDerWaalsContact O-N 3.11Å; V158-D161 HydrophobicContact CG1-CB 3.63Å
159S45.1Very low53.6Low132 Ų132119.5 Ų119.592%0.92365%0.649SS**SBendtrans-78.490.8175.1173.70000110.8
160G48.9Very low54.4Low61 Ų61118.5 Ų118.563%0.62965%0.652SS**  trans81.729.8157.900000117.4V158 Q162V158-G160 PolarHBondContact O-N 3.4Å; V158-G160 VanDerWaalsContact O-N 3.11Å; G160-Q162 VanDerWaalsContact C-N 3.34Å; G160-Q162 PolarHBondContact O-N 3.46Å; G160-Q162 VanDerWaalsContact O-N 3.12Å
161D47.8Very low54.6Low137 Ų137117.8 Ų117.873%0.73365%0.649SS**  trans-79.186.8164.3-16140000108.7V158V158-D161 HydrophobicContact CG1-CB 3.63Å
162Q53.5Low55.4Low131 Ų131114.2 Ų114.261%0.61264%0.637SS**  trans-65.5143.7-177.1-68.2175.974.900110.5G160 S164 A173G160-Q162 VanDerWaalsContact C-N 3.34Å; G160-Q162 PolarHBondContact O-N 3.46Å; G160-Q162 VanDerWaalsContact O-N 3.12Å; Q162-S164 VanDerWaalsContact C-N 3.34Å; Q162-S164 PolarHBondContact O-N 3.18Å; Q162-A173 HydrophobicContact CB-CB 3.96Å; Q162-A173 VanDerWaalsContact OE1-CB 3.31Å
163V57.6Low56.3Low116 Ų116113.6 Ų113.670%0.70364%0.636SS**  trans-64.395.3176.5-178.90000109.1L174V163-L174 HydrophobicContact CG1-CD1 4.38Å; V163-L174 PolarHBondContact O-N 3.38Å
164S56.7Low57.4Low45 Ų45108.1 Ų108.132%0.31562%0.622SS.*EExtended strand (participates in β ladder)trans-98.1126.9-176.270.70000111.1Q162 Q171 V172Q162-S164 VanDerWaalsContact C-N 3.34Å; Q162-S164 PolarHBondContact O-N 3.18Å; S164-Q171 PolarHBondContact OG-OE1 3.07Å; S164-V172 CarbonylContact C-O 3.57Å; S164-V172 VanDerWaalsContact CA-O 3.29Å; S164-V172 WeakPolarHBondContact CA-O 3.16Å
165I64.5Low58.6Low87 Ų87102.6 Ų102.645%0.44661%0.612SS.*EExtended strand (participates in β ladder)trans-89.5129.7166.3-176.3159.7000108V167 V172 L174I165-V167 HydrophobicContact CG1-CG2 4.16Å; I165-V167 HydrophobicContact CG2-CG2 4.31Å; I165-V172 HydrophobicContact CG2-CB 4.18Å; I165-V172 PolarHBondContact N-O 3.23Å; I165-V172 PolarHBondContact O-N 2.89Å; I165-L174 HydrophobicContact CG2-CD2 3.85Å; I165-L174 HydrophobicContact CG2-CG 4.23Å
166M66.9Low60Low134 Ų13498.4 Ų98.466%0.6660%0.598SS**EExtended strand (participates in β ladder)trans-82.7119.4170.7-70.3-148.4-5500110.1V170 Q171M166-V170 WeakPolarHBondContact CA-O 3.11Å; M166-Q171 HydrophobicContact CG-CG 3.85Å; M166-Q171 HydrophobicContact SD-CG 4.26Å
167V63.8Low61.3Low84 Ų8499 Ų9951%0.50959%0.594SS.*EExtended strand (participates in β ladder)trans-123.4123.9171.9-174.30000107.6I165 G169 V170I165-V167 HydrophobicContact CG1-CG2 4.16Å; I165-V167 HydrophobicContact CG2-CG2 4.31Å; V167-G169 PolarHBondContact O-N 3.02Å; V167-V170 PolarHBondContact N-O 3.27Å; V167-V170 PolarHBondContact O-N 2.89Å
168D70.1Confident63.1Low174 Ų174102.3 Ų102.393%0.9359%0.592SS**THydrogen-bonded Turntrans52.827-177.3-118.73000115
169G69.3Low64.5Low66 Ų66101.3 Ų101.368%0.6858%0.581SS**THydrogen-bonded Turntrans85.6-0.8-17700000115.1V167V167-G169 PolarHBondContact O-N 3.02Å
170V70.3Confident65.9Low94 Ų9498.7 Ų98.757%0.5757%0.567SS**EExtended strand (participates in β ladder)trans-95.3129.8173.6-176.10000109.6M166 V167 V172M166-V170 WeakPolarHBondContact CA-O 3.11Å; V167-V170 PolarHBondContact N-O 3.27Å; V167-V170 PolarHBondContact O-N 2.89Å; V170-V172 HydrophobicContact CG1-CG2 4.48Å
171Q58.3Low67.2Low130 Ų13099.3 Ų99.361%0.60756%0.559SS**EExtended strand (participates in β ladder)trans-76.7119.5170-77.3-175.453.100110.2S164 M166S164-Q171 PolarHBondContact OG-OE1 3.07Å; M166-Q171 HydrophobicContact CG-CG 3.85Å; M166-Q171 HydrophobicContact SD-CG 4.26Å
172V67Low68.3Low71 Ų7199.4 Ų99.443%0.4355%0.55SS..EExtended strand (participates in β ladder)trans-112.1117.3175.5-174.90000108.4S164 I165 V170S164-V172 CarbonylContact C-O 3.57Å; S164-V172 VanDerWaalsContact CA-O 3.29Å; S164-V172 WeakPolarHBondContact CA-O 3.16Å; I165-V172 HydrophobicContact CG2-CB 4.18Å; I165-V172 PolarHBondContact N-O 3.23Å; I165-V172 PolarHBondContact O-N 2.89Å; V170-V172 HydrophobicContact CG1-CG2 4.48Å
173A70.6Confident69.1Low44 Ų4494.8 Ų94.836%0.36454%0.538SS..EExtended strand (participates in β ladder)trans-68.3138.3175.100000110.9Q162Q162-A173 HydrophobicContact CB-CB 3.96Å; Q162-A173 VanDerWaalsContact OE1-CB 3.31Å
174L71.5Confident69.4Low93 Ų9394.4 Ų94.449%0.48754%0.54SS..PPolyproline II helixtrans-92.3138.7175.2-62.7177.5000110.9V163 I165V163-L174 HydrophobicContact CG1-CD1 4.38Å; V163-L174 PolarHBondContact O-N 3.38Å; I165-L174 HydrophobicContact CG2-CD2 3.85Å; I165-L174 HydrophobicContact CG2-CG 4.23Å
175P73.2Confident69.6Low83 Ų8396 Ų9654%0.53955%0.552SS.*PPolyproline II helixtrans-56148.2173.1-26.535.5000112.8E179P175-E179 HydrophobicContact CB-CB 4.27Å; P175-E179 HydrophobicContact CB-CG 4.23Å
176S75.5Confident69Low51 Ų5195.7 Ų95.736%0.35757%0.57SS.*PPolyproline II helixtrans-69.7160.1171.663.50000111.1E178 E179 A180S176-E178 PolarHBondContact O-N 2.95Å; S176-E178 WeakPolarHBondContact OG-CG 3.33Å; S176-E179 PolarHBondContact O-N 3.21Å; S176-E179 VanDerWaalsContact O-N 3.11Å; S176-E179 WeakPolarHBondContact OG-CB 3.25Å; S176-E179 PolarHBondContact OG-N 3.28Å; S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 2.83Å
177Y74.4Confident68.1Low182 Ų18297.4 Ų97.471%0.71458%0.576SS**Hα-helixtrans-56.9-39.7177169.9-98.5000112.2A180 V181Y177-A180 PolarHBondContact O-N 3.29Å; Y177-V181 HydrophobicContact CD2-CG2 4.07Å; Y177-V181 HydrophobicContact CE1-CG2 4.19Å; Y177-V181 HydrophobicContact CE2-CG2 3.64Å; Y177-V181 WeakPolarHBondContact O-CB 3.28Å; Y177-V181 VanDerWaalsContact O-CG2 3.31Å; Y177-V181 WeakPolarHBondContact O-CG2 3.45Å; Y177-V181 PolarHBondContact O-N 3.42Å
178E76Confident67.3Low133 Ų13399.2 Ų99.262%0.62159%0.591SS**Hα-helixtrans-65.1-40.8175.157-170.7176.800112.4S176 V181 Y182S176-E178 PolarHBondContact O-N 2.95Å; S176-E178 WeakPolarHBondContact OG-CG 3.33Å; E178-V181 PolarHBondContact O-N 3.34Å; E178-Y182 HydrophobicContact CB-CD2 4.13Å; E178-Y182 HydrophobicContact CB-CE2 4.45Å; E178-Y182 WeakPolarHBondContact O-CB 3.35Å; E178-Y182 VanDerWaalsContact O-CD2 3.29Å; E178-Y182 WeakPolarHBondContact O-CD2 3.4Å; E178-Y182 PolarHBondContact O-N 2.87Å
179E72.6Confident66.4Low79 Ų7997.9 Ų97.937%0.36958%0.58SS.*Hα-helixtrans-68-35.8174.2-176.6170.2-141.300112P175 S176 G183 S184P175-E179 HydrophobicContact CB-CB 4.27Å; P175-E179 HydrophobicContact CB-CG 4.23Å; S176-E179 PolarHBondContact O-N 3.21Å; S176-E179 VanDerWaalsContact O-N 3.11Å; S176-E179 WeakPolarHBondContact OG-CB 3.25Å; S176-E179 PolarHBondContact OG-N 3.28Å; E179-G183 WeakPolarHBondContact O-CA 3.33Å; E179-G183 PolarHBondContact O-N 2.83Å; E179-S184 VanDerWaalsContact OE1-CB 3.31Å; E179-S184 WeakPolarHBondContact OE1-CB 3.42Å; E179-S184 PolarHBondContact OE1-OG 3.48Å
180A76.4Confident66.1Low77 Ų7799.4 Ų99.464%0.63658%0.579SS**Hα-helixtrans-71.3-26.1176.800000113.8S176 Y177S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 2.83Å; Y177-A180 PolarHBondContact O-N 3.29Å
181V75.2Confident65.4Low75 Ų75101.1 Ų101.146%0.45559%0.592SS.*Hα-helixtrans-97-40.6-178.2169.80000112.9Y177 E178Y177-V181 HydrophobicContact CD2-CG2 4.07Å; Y177-V181 HydrophobicContact CE1-CG2 4.19Å; Y177-V181 HydrophobicContact CE2-CG2 3.64Å; Y177-V181 WeakPolarHBondContact O-CB 3.28Å; Y177-V181 VanDerWaalsContact O-CG2 3.31Å; Y177-V181 WeakPolarHBondContact O-CG2 3.45Å; Y177-V181 PolarHBondContact O-N 3.42Å; E178-V181 PolarHBondContact O-N 3.34Å
182Y70.3Confident65Low138 Ų13899.8 Ų99.854%0.54160%0.603SS.*Hα-helixtrans-101.1-11.4-177.5-56-66.2000113.4E178 M189E178-Y182 HydrophobicContact CB-CD2 4.13Å; E178-Y182 HydrophobicContact CB-CE2 4.45Å; E178-Y182 WeakPolarHBondContact O-CB 3.35Å; E178-Y182 VanDerWaalsContact O-CD2 3.29Å; E178-Y182 WeakPolarHBondContact O-CD2 3.4Å; E178-Y182 PolarHBondContact O-N 2.87Å; Y182-M189 HydrophobicContact CD1-CE 4.49Å; Y182-M189 HydrophobicContact CE1-CE 3.83Å
183G70Confident64.1Low35 Ų35101.9 Ų101.936%0.36161%0.611SS.*  trans74.8160.7-173.500000112.7E179 S185E179-G183 WeakPolarHBondContact O-CA 3.33Å; E179-G183 PolarHBondContact O-N 2.83Å; G183-S185 PolarHBondContact O-N 2.9Å
184S65.2Low63.1Low108 Ų108105.9 Ų105.976%0.75563%0.634SS**SBendtrans-67.32.7175-137.10000113.6E179E179-S184 VanDerWaalsContact OE1-CB 3.31Å; E179-S184 WeakPolarHBondContact OE1-CB 3.42Å; E179-S184 PolarHBondContact OE1-OG 3.48Å
185S61.6Low61.6Low79 Ų79111.8 Ų111.855%0.55265%0.65SS**SBendtrans-115.891.1177.557.90000110.7G183 H187G183-S185 PolarHBondContact O-N 2.9Å; S185-H187 VanDerWaalsContact C-N 3.28Å; S185-H187 PolarHBondContact O-N 3.45Å
186G51.8Low60.4Low80 Ų80113.7 Ų113.783%0.82566%0.66SS**  trans-69.169.5-175.100000115.3
187H46.5Very low58.6Low169 Ų169119.9 Ų119.978%0.78268%0.683SS**  trans-111.5123.8177.7-80.8-54.8000112.4S185S185-H187 VanDerWaalsContact C-N 3.28Å; S185-H187 PolarHBondContact O-N 3.45Å
188C46.7Very low57.5Low122 Ų122117.8 Ų117.882%0.82468%0.683SS**  trans58.494172-67.10000116.7P190C188-P190 WeakPolarHBondContact O-CD 3.25Å
189M52.3Low56.1Low146 Ų146116.7 Ų116.772%0.71968%0.684SS**PPolyproline II helixtrans-61.2122.6153.1-67.3-116.674.300109.8Y182Y182-M189 HydrophobicContact CD1-CE 4.49Å; Y182-M189 HydrophobicContact CE1-CE 3.83Å
190P61.9Low54.8Low99 Ų99120.6 Ų120.664%0.64371%0.707SS**PPolyproline II helixtrans-75.8143166.631.6-32.8000110.2C188 A192C188-P190 WeakPolarHBondContact O-CD 3.25Å; P190-A192 PolarHBondContact O-N 3.43Å
191P55.5Low53Low130 Ų130122.3 Ų122.384%0.84471%0.714SS**PPolyproline II helixtrans-72.3120176.529.2-33.2000110.7D193P191-D193 PolarHBondContact O-N 2.84Å
192A50Low51.4Low101 Ų101128.3 Ų128.384%0.83574%0.737SS**  trans-79.9105.5179.400000111.6P190P190-A192 PolarHBondContact O-N 3.43Å
193D49.1Very low49.9Very low115 Ų115125.2 Ų125.262%0.61575%0.747SS**  trans-61.4130.8167.1-172.2-43.8000109.7P191 R195P191-D193 PolarHBondContact O-N 2.84Å; D193-R195 PolarHBondContact O-N 3.26Å; D193-R195 VanDerWaalsContact OD1-CB 3.3Å; D193-R195 WeakPolarHBondContact OD1-CB 3.49Å; D193-R195 WeakPolarHBondContact OD1-CG 3.31Å; D193-R195 PolarHBondContact OD1-N 2.89Å
194P48.6Very low48.4Very low129 Ų129129.2 Ų129.284%0.83877%0.77SS**SBendtrans-73.937.7-175.432.8-38.8000114.4
195R39.9Very low47.2Very low217 Ų217128.9 Ų128.982%0.81977%0.774SS**  trans-136.640.5-169.3-67.9-174.9153.6-170.1-5.2116.1D193D193-R195 PolarHBondContact O-N 3.26Å; D193-R195 VanDerWaalsContact OD1-CB 3.3Å; D193-R195 WeakPolarHBondContact OD1-CB 3.49Å; D193-R195 WeakPolarHBondContact OD1-CG 3.31Å; D193-R195 PolarHBondContact OD1-N 2.89Å
196V48.1Very low46.3Very low123 Ų123131.1 Ų131.175%0.74579%0.787SS**  trans-120.8105161.5-171.30000111I198V196-I198 HydrophobicContact CG1-CG1 3.88Å; V196-I198 PolarHBondContact O-N 3.45Å; V196-I198 VanDerWaalsContact O-N 3.13Å
197Q37.5Very low45.7Very low181 Ų181133.5 Ų133.585%0.84679%0.79SS**  trans-78.387172.9-177.9176.45400109.2V199Q197-V199 PolarHBondContact O-N 3.27Å
198I52.7Low45Very low138 Ų138129.1 Ų129.171%0.70879%0.791SS**  trans-71.1100.5179.3-58.3-179.8000109.5V196 L200V196-I198 HydrophobicContact CG1-CG1 3.88Å; V196-I198 PolarHBondContact O-N 3.45Å; V196-I198 VanDerWaalsContact O-N 3.13Å; I198-L200 PolarHBondContact O-N 3.05Å
199V45.7Very low44.8Very low109 Ų109134.2 Ų134.266%0.66179%0.793SS**  trans-72.6110.4171178.40000108.7Q197 S201Q197-V199 PolarHBondContact O-N 3.27Å; V199-S201 PolarHBondContact O-N 2.84Å
200L44.8Very low44.3Very low161 Ų161133.9 Ų133.984%0.84380%0.795SS**  trans-72.5107.1171.7-74.3168.6000110I198I198-L200 PolarHBondContact O-N 3.05Å
201S39.9Very low43.1Very low113 Ų113137.8 Ų137.879%0.7981%0.806SS**  trans-117106.1168.5-69.90000109V199V199-S201 PolarHBondContact O-N 2.84Å
202E41.9Very low42.4Very low201 Ų201136.1 Ų136.194%0.93980%0.796SS**  trans-120147177.9-169.1178.2142.600110.1
203G38.6Very low41.5Very low73 Ų73142.4 Ų142.475%0.75380%0.798SS**  trans112.439.7167.500000117.7A205G203-A205 PolarHBondContact O-N 3.36Å
204S38.1Very low40.8Very low119 Ų119145.6 Ų145.683%0.83281%0.809SS**  trans-75.9114.5169.2600000112.1
205A40.1Very low40.2Very low101 Ų101146.9 Ų146.984%0.83580%0.803SS**  trans-80.9127.6172.100000111.5G203G203-A205 PolarHBondContact O-N 3.36Å
206P42.2Very low39.9Very low127 Ų127144.2 Ų144.283%0.82580%0.8SS**  trans-100.6135-17435.7-32.3000113.8
207S39.2Very low39.4Very low129 Ų129145 Ų14590%0.90280%0.8SS**  trans-161.9118.8146.4-162.40000111.3
208G33.3Very low39.4Very low78 Ų78144.9 Ų144.980%0.80480%0.799SS**  trans-140109.4175.800000110.7
209R41.9Very low38.6Very low228 Ų228141.4 Ų141.486%0.8680%0.798SS**  trans-156.8106.2174.1-135170.4-178.7164.3-0.3113
210N41.3Very low38.4Very low140 Ų140145.6 Ų145.675%0.74981%0.81SS**  trans48.4105.5148.6-55.9-8.1000120.6
211M37.8Very low38Very low181 Ų181142 Ų14289%0.89280%0.803SS**  57.2161.9127.4-77.3-69.4-123.400121.6
212P39.4Very low38Very low95 Ų95141 Ų14162%0.61780%0.802SS**  cis-130.2174.5-20.339.6-24.9000114.2
213R31.2Very low37.9Very low233 Ų233136.8 Ų136.888%0.87979%0.793SS**  trans65.3141169.6-74.4178.1147.5115.8-3.3114.4
214E35.4Very low37.9Very low182 Ų182138.7 Ų138.785%0.8580%0.795SS**  cis-137-172.747.9-131.2168.189.100114.7
215Q34.7Very low38.1Very low155 Ų155138 Ų13872%0.72479%0.79SS**  trans-72.6159.3177.2-66.4138.2-121.300110.3
216Q34.1Very low38.1Very low161 Ų161138 Ų13875%0.75279%0.79SS**  177.615657.2178.5156.4-92.600111.9
217L38.3Very low38Very low140 Ų140135.9 Ų135.973%0.73379%0.792SS**  trans63.1114.4171.9-98.456.9000116.1
218Q37Very low38.1Very low178 Ų178132.1 Ų132.183%0.83277%0.774SS**  87.9112.851.6-179178.364.500112.8
219G36.7Very low38.8Very low66 Ų66136.9 Ų136.968%0.6878%0.775SS**  cis170-177.5-9.600000114.1
220Q39.6Very low39Very low197 Ų197133.4 Ų133.492%0.92177%0.773SS**  trans70.5131.9146-149.3168.7-22.100119.3
221A38.1Very low38.8Very low85 Ų85135.1 Ų135.170%0.70278%0.777SS**  cis-169.9168.3-13.500000113.1
222A39.1Very low39.3Very low91 Ų91130.6 Ų130.675%0.75277%0.768SS**  trans68.8148148.700000120.5
223C39.8Very low39.4Very low113 Ų113132.5 Ų132.576%0.76478%0.78SS**  cis-166155.8-14.6-108.80000112.1
224S39.6Very low39.7Very low113 Ų113124.7 Ų124.779%0.7977%0.772SS**  trans33.9154.5134-54.40000122.7
225S41Very low40Very low105 Ų105125.4 Ų125.473%0.73478%0.776SS**  cis179.3119.9-5.5164.30000107.5
226A40.4Very low40.1Very low100 Ų100124 Ų12483%0.82678%0.783SS**  83.1147.292.800000117.7
227G39.9Very low40.4Very low84 Ų84119.9 Ų119.987%0.86678%0.783SS**  trans90.2140.3174.200000115.5
228G41Very low40.6Very low50 Ų50121 Ų12152%0.51579%0.789SS.*  cis162137-8.100000112.9
229E48.2Very low40.6Very low178 Ų178117.9 Ų117.983%0.83279%0.786SS**  trans61.3-173.5161.7-60.474.2-9600117.4
230D45.7Very low40.6Very low155 Ų155123.3 Ų123.383%0.82979%0.793SS**  -148.6-173.2-87.9-116.7-75.2000108.6
231E38.7Very low40.6Very low175 Ų175118.6 Ų118.682%0.81879%0.788SS**  cis-150.814817.4168.1172.737.200112
232A46.6Very low40.6Very low86 Ų86126.3 Ų126.371%0.71180%0.799SS**  trans65.5158.6158.300000122.5
233P43.1Very low40.5Very low135 Ų135125.1 Ų125.188%0.87780%0.796SS**  trans-123.3170.8-162.842.2-28.1000116.7
234G37.7Very low40.5Very low69 Ų69124.5 Ų124.571%0.71179%0.792SS**  trans-151.9124.1172.500000115.2
235H40.3Very low40.6Very low198 Ų198128.4 Ų128.492%0.91780%0.798SS**  trans6.9118166.7-79.7-92.7000120.8
236S36.8Very low40.7Very low126 Ų126126.5 Ų126.588%0.88180%0.796SS**  trans-103.3147.9155.3-69.50000111.5
237G41.5Very low40.7Very low73 Ų73127 Ų12775%0.75379%0.793SS**  trans-113.6138.1177.800000114
238L42.6Very low41Very low163 Ų163130.8 Ų130.885%0.85379%0.788SS**  trans23.9126.1148.8-66.7168.3000121.8
239C35.5Very low41.5Very low113 Ų113133.7 Ų133.776%0.76480%0.796SS**  trans57.6152.3143.969.60000119.8
240E37.1Very low41.2Very low180 Ų180131.2 Ų131.284%0.84179%0.792SS**  cis-144.9-16130-57.9-172.9126.300113.6
241A39.7Very low41.5Very low98 Ų98132.4 Ų132.481%0.8180%0.795SS**  trans75.6148.2162.100000118.6
242W37.4Very low42.2Very low248 Ų248130.1 Ų130.194%0.93979%0.793SS**  cis-170.2141.3-10.6158.8-77.3000112.4
243G37Very low42Very low66 Ų66135.2 Ų135.268%0.6880%0.802SS**  trans73.3169.215900000118.8
244S40.1Very low42.3Very low99 Ų99137.3 Ų137.369%0.69280%0.8SS**  cis-167.7140.9-14.6-1740000111.9
245Q42.4Very low42.4Very low195 Ų195138.5 Ų138.591%0.91180%0.803SS**  trans56.6148.1163.9-71.3174.8-36.800120
246G43.1Very low42.8Very low66 Ų66135.4 Ų135.468%0.6880%0.798SS**  cis165154.6-9.400000113.6
247S41.1Very low43.1Very low109 Ų109135 Ų13576%0.76279%0.79SS**  trans61.4154.8163.7-66.40000118.4
248E44.8Very low43.3Very low165 Ų165137.2 Ų137.277%0.77179%0.794SS**  cis-173.6174.9-22.8-114.7165.294.800107.4
249T51.3Low43.6Very low111 Ų111134 Ų13468%0.68179%0.786SS**  cis-132.1-163.24.959.90000110.2
250V43.3Very low43.9Very low125 Ų125141.1 Ų141.176%0.75880%0.796SS**  trans-134.7141.7164169.80000110V252V250-V252 HydrophobicContact CG1-CG2 4.17Å
251M52.1Low44.9Very low180 Ų180138.9 Ų138.989%0.88780%0.795SS**  trans-133.3137168.6-84.6-83.9-82.200109.9
252V52.5Low45.2Very low127 Ų127139.3 Ų139.377%0.7780%0.799SS**  trans-113.7151.1-174.4174.70000110.6V250V250-V252 HydrophobicContact CG1-CG2 4.17Å
253H43.4Very low45.6Very low193 Ų193130.6 Ų130.689%0.89479%0.786SS**  trans-62.1141.1-178.2-71-143.1000112.5
254Q48.4Very low45.9Very low180 Ų180133.8 Ų133.884%0.84180%0.797SS**  trans-119.4129.9162.4-174.5171.7-10.300109.1
255A39.3Very low45.8Very low93 Ų93132.7 Ų132.777%0.76980%0.802SS**  trans-105.1142.5174.500000110
256T49.1Very low45.7Very low134 Ų134128.8 Ų128.882%0.82280%0.796SS**  trans-125.6134.2175-48.20000108.8
257T43.8Very low45.6Very low117 Ų117130.6 Ų130.672%0.71880%0.799SS**  trans-120171.1-17054.80000111.5
258S44.8Very low45.5Very low120 Ų120135.9 Ų135.984%0.83980%0.802SS**  trans72.6153.2168.788.90000115
259S48.8Very low45.2Very low96 Ų96135.3 Ų135.367%0.67180%0.799SS**  cis-158.8143.2-16.9173.60000108.5
260W43.2Very low44.7Very low261 Ų261135.7 Ų135.799%0.98980%0.802SS**  trans-89.9132.8166.6-65.194.4000109.7
261V58.1Low44.7Very low133 Ų133138 Ų13881%0.80680%0.804SS**  trans-126.1126.6175177.80000109.2
262A44.6Very low44.4Very low108 Ų108137.2 Ų137.289%0.89380%0.795SS**  trans-120.3125168.400000109.3
263G45.9Very low43.9Very low65 Ų65137.6 Ų137.667%0.6779%0.793SS**  trans-154.411617100000107.1
264S43.9Very low43.8Very low132 Ų132135 Ų13592%0.92379%0.791SS**  63.196.776.5-163.80000110.7
265G37.8Very low43.7Very low77 Ų77130.6 Ų130.679%0.79479%0.785SS**  trans-99.2174.4-176.200000113.5
266S40.1Very low44.1Very low112 Ų112134.1 Ų134.178%0.78379%0.791SS**  trans-163.5146.8164.9-167.90000111.8
267S41.4Very low44.1Very low105 Ų105133.4 Ų133.473%0.73479%0.792SS**  trans70.3152.3160.286.20000117.7
268R38.2Very low44.5Very low220 Ų220136.7 Ų136.783%0.8380%0.799SS**  cis-159-175.1-24.7-118.2175-163.9171.24.5108.1
269Q39.8Very low44.4Very low152 Ų152137 Ų13771%0.7179%0.792SS**  trans-34.3157168.3-63.8135.3-73.900114.1
270T41Very low44.5Very low120 Ų120137 Ų13774%0.73679%0.792SS**  -170.5146.255.5-370000114
271H42.2Very low44.8Very low172 Ų172132 Ų13280%0.79678%0.784SS**  trans67.3122.8148.4-94.1-144.6000123.4
272K46.7Very low44.8Very low164 Ų164131.9 Ų131.971%0.71378%0.778SS**  96.296.5117.2-169162.2-172.9172.50120.5
273D41.6Very low44.8Very low135 Ų135135.2 Ų135.272%0.72278%0.775SS**  29.3116.5126.1-30.3-44.6000119.8
274T40.5Very low45Very low139 Ų139138 Ų13885%0.85378%0.784SS**  164.2147.3108-63.20000109.9
275A46.3Very low45.2Very low87 Ų87138.8 Ų138.872%0.71978%0.777SS**  trans-58.2155.1-175.300000115.9
276D47.3Very low45.6Very low167 Ų167142.4 Ų142.489%0.89378%0.777SS**  -143.9163.3129.8-105.7-38.7000109.6
277S51Low45.7Very low119 Ų119143.5 Ų143.583%0.83279%0.785SS**  trans-83162.8-150.6-61.60000118.2
278E51.1Low46Very low186 Ų186145 Ų14587%0.86978%0.784SS**  trans-61128.1178.4-73.3163.773.600115.1
279N42Very low46.4Very low128 Ų128139.7 Ų139.768%0.68478%0.776SS**  45.1111.4125.7-17285.4000119
280S50.8Low46.9Very low96 Ų96138.6 Ų138.667%0.67179%0.785SS**  trans-132.1154.6155.6-63.50000110
281D50.2Low47.6Very low156 Ų156140.5 Ų140.583%0.83479%0.786SS**  trans63.461.5160.8-50.9-32.5000119.1
282I57.6Low48.1Very low130 Ų130140.8 Ų140.867%0.66779%0.787SS**  trans-130.3153.9151.155.3171000111.8
283Q45.2Very low48.3Very low178 Ų178142.3 Ų142.383%0.83279%0.79SS**  trans76.539.6175.2-53.9-173.8-3.800118.4L285Q283-L285 PolarHBondContact O-N 2.88Å; Q283-L285 VanDerWaalsContact O-N 3.13Å
284S50.5Low49.1Very low124 Ų124140.6 Ų140.687%0.86778%0.784SS**  trans-76.729.6156.6-51.50000113.7
285L46.9Very low50.4Low148 Ų148140.5 Ų140.578%0.77578%0.779SS**SBendtrans-144.7133.7-171.7-73.1176.9000112Q283Q283-L285 PolarHBondContact O-N 2.88Å; Q283-L285 VanDerWaalsContact O-N 3.13Å
286L47.3Very low51.4Low152 Ų152143 Ų14380%0.79678%0.78SS**  trans70.755.8163-53179.5000118.6
287S42.9Very low52.7Low135 Ų135141.1 Ų141.194%0.94477%0.769SS**  trans-94.974.8145.1-63.20000109.6
288L47.4Very low53.7Low136 Ų136140.6 Ų140.671%0.71276%0.763SS**  trans-109.3163.4170.8-115.1168.2000109.1
289T45.7Very low53.8Low109 Ų109139.9 Ų139.967%0.66976%0.764SS**  trans52.863.117758.70000115.2E291T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 WeakPolarHBondContact CB-OE1 3.14Å; T289-E291 PolarHBondContact O-N 3.01Å
290S50.4Low54.7Low129 Ų129141.7 Ų141.790%0.90277%0.772SS**  trans-83.980.1149.9610000108.9
291E55.9Low54.9Low160 Ų160146.2 Ų146.275%0.74878%0.78SS**  trans-96.7114.1169.860.1-159.680.600109.2T289T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 WeakPolarHBondContact CB-OE1 3.14Å; T289-E291 PolarHBondContact O-N 3.01Å
292E53.4Low55.4Low178 Ų178147.5 Ų147.583%0.83278%0.781SS**  trans177157144.3-175.558.4137.800110.5
293Y49.7Very low55.1Low197 Ų197149.4 Ų149.477%0.77382%0.816SS**  trans77.788.4161.3-130.9-92.3000120.4
294T58.7Low55.6Low98 Ų98148 Ų14860%0.60182%0.815SS**  trans-31.5140.9151.645.20000117.7
295D68.2Low55.9Low137 Ų137149.2 Ų149.273%0.73381%0.812SS**  trans-136.478.8150.8-174.725.6000109.6I297D295-I297 PolarHBondContact O-N 2.8Å
296D67.3Low56.4Low140 Ų140149.3 Ų149.375%0.74982%0.815SS**  trans-85.898.9177.4-84.3-66000110.5P298D296-P298 VanDerWaalsContact O-CD 3.23Å; D296-P298 WeakPolarHBondContact O-CD 3.48Å
297I75.4Confident56.9Low127 Ų127149.1 Ų149.165%0.65182%0.816SS**  trans-86.9109.5177.1-64.7168.5000110.1D295 L299D295-I297 PolarHBondContact O-N 2.8Å; I297-L299 PolarHBondContact O-N 2.82Å
298P71.9Confident57.8Low109 Ų109150 Ų15071%0.70881%0.808SS**  trans-77.711418030.9-34.2000111.5D296 L300D296-P298 VanDerWaalsContact O-CD 3.23Å; D296-P298 WeakPolarHBondContact O-CD 3.48Å; P298-L300 PolarHBondContact O-N 3.18Å
299L52.5Low58.4Low171 Ų171150.9 Ų150.990%0.89581%0.814SS**  trans-68.986.4171.3-75170.1000111.5I297 K301I297-L299 PolarHBondContact O-N 2.82Å; L299-K301 PolarHBondContact O-N 3.36Å
300L61.2Low59.4Low165 Ų165153.9 Ų153.986%0.86482%0.824SS**  trans-79.9112.4164.6-84.3172.5000110.6P298P298-L300 PolarHBondContact O-N 3.18Å
301K54Low60.1Low192 Ų192155.8 Ų155.884%0.83582%0.818SS**  trans-95.1113.6173173.4-172.3172.4-178.90109.4L299L299-K301 PolarHBondContact O-N 3.36Å
302E61Low60.4Low183 Ų183155.5 Ų155.586%0.85582%0.824SS**  trans-132.8156.9163.7-69.5-159.3107.600110.4
303A51.6Low61Low169 Ų169153.5 Ų153.5100%1.39782%0.824SS**  trans66.10-165.700000114.7

Retrieved 303 of 303 residues in 129.3 ms (Link to these results)